N-[1-[2-[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]acetamide

C28H32Cl2F4N4O2 — CID 46208503

IUPACN-[1-[2-[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC(=O)N2C[C@H](c3ccc(Cl)c(Cl)c3)[C@@H](N(C)Cc3ccc(C(F)(F)F)c(F)c3)C2)CC1
InChIInChI=1S/C28H32Cl2F4N4O2/c1-17(39)35-20-7-9-37(10-8-20)16-27(40)38-14-21(19-4-6-23(29)24(30)12-19)26(15-38)36(2)13-18-3-5-22(25(31)11-18)28(32,33)34/h3-6,11-12,20-21,26H,7-10,13-16H2,1-2H3,(H,35,39)/t21-,26+/m1/s1
InChIKeyPDUCDFIXZGQIFF-RLWLMLJZSA-N
MW603.49 g/mol
LogP5.18
Rot. Bonds7

About N-[1-[2-[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]acetamide

N-[1-[2-[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]acetamide (PubChem CID 46208503) has the molecular formula C28H32Cl2F4N4O2 and a molecular weight of 603.49 g/mol. Its IUPAC name is N-[1-[2-[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]acetamide
PubChem CID46208503
Molecular FormulaC28H32Cl2F4N4O2
Molecular Weight603.49 g/mol
Exact Mass602.18
IUPAC NameN-[1-[2-[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC(=O)N2C[C@H](c3ccc(Cl)c(Cl)c3)[C@@H](N(C)Cc3ccc(C(F)(F)F)c(F)c3)C2)CC1
InChIInChI=1S/C28H32Cl2F4N4O2/c1-17(39)35-20-7-9-37(10-8-20)16-27(40)38-14-21(19-4-6-23(29)24(30)12-19)26(15-38)36(2)13-18-3-5-22(25(31)11-18)28(32,33)34/h3-6,11-12,20-21,26H,7-10,13-16H2,1-2H3,(H,35,39)/t21-,26+/m1/s1
InChIKeyPDUCDFIXZGQIFF-RLWLMLJZSA-N
XLogP5.18
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.49
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-[2-[1-[(3S,4R)-1-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
CID 44448554
N-[(1S)-1-[2-[1-[(3R,4S)-1-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
CID 44448588
[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 46208622
(R)-N-(2-(1-(2-(1-(3,4-dichlorobenzoyl)piperidin-4-yl)ethyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
CID 46842236
3,4-dichloro-N-[[(3R,5R)-3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-oxo-1-[(2S)-2-phenylbutyl]-1,4-diazepan-5-yl]methyl]benzamide
CID 127054320
3,4-dichloro-N-[[(3R,5R)-3-[2-(3,3-difluoropiperidin-1-yl)ethyl]-2-oxo-1-[(2S)-2-phenylbutyl]-1,4-diazepan-5-yl]methyl]benzamide
CID 127054322
US11306098, Example 47
CID 155185780
(S)-N-((R or S)-(3-chloro-4-fluoro-phenyl)(cis-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl)methyl)-2-oxoimidazolidine-4-carboxamide
CID 166905047
2-[(3,4-dichlorophenyl)methyl-methylamino]-1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 44448732
(E)-3-(3,4-dichlorophenyl)-N-[5-[3-[[(E)-3-[2-fluoro-5-(trifluoromethyl)phenyl]prop-2-enoyl]-methylamino]pyrrolidin-1-yl]pentyl]prop-2-enamide
CID 44534197
N-benzyl-2-[(3,4-dichlorophenyl)methyl-methylamino]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 53384016
(2R)-2-[4-(2-aminoethyl)-2-oxo-5-(2-phenylethyl)-1,4-diazepan-1-yl]-N-[(3,4-dichlorophenyl)methyl]-4-methylpentanamide;hydrochloride
CID 166626160

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]acetamide (CID 46208503) is N-[1-[2-[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(CC(=O)N2C[C@H](c3ccc(Cl)c(Cl)c3)[C@@H](N(C)Cc3ccc(C(F)(F)F)c(F)c3)C2)CC1.
What is the InChIKey of N-[1-[2-[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]acetamide?
The InChIKey is PDUCDFIXZGQIFF-RLWLMLJZSA-N. The full InChI is InChI=1S/C28H32Cl2F4N4O2/c1-17(39)35-20-7-9-37(10-8-20)16-27(40)38-14-21(19-4-6-23(29)24(30)12-19)26(15-38)36(2)13-18-3-5-22(25(31)11-18)28(32,33)34/h3-6,11-12,20-21,26H,7-10,13-16H2,1-2H3,(H,35,39)/t21-,26+/m1/s1.
What are the key properties of N-[1-[2-[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]acetamide?
N-[1-[2-[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]acetamide has a molecular weight of 603.49 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 46208503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).