1-(4-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide

C21H21ClF2N2O2 — CID 78841474

IUPAC1-(4-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCNC(=O)C(NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H21ClF2N2O2/c1-25-19(27)18(13-4-9-16(23)17(24)12-13)26-20(28)21(10-2-3-11-21)14-5-7-15(22)8-6-14/h4-9,12,18H,2-3,10-11H2,1H3,(H,25,27)(H,26,28)
InChIKeyVALDLVKFKTVCOU-UHFFFAOYSA-N
MW406.86 g/mol
LogP4.03
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide (PubChem CID 78841474) has the molecular formula C21H21ClF2N2O2 and a molecular weight of 406.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
PubChem CID78841474
Molecular FormulaC21H21ClF2N2O2
Molecular Weight406.86 g/mol
Exact Mass406.13
IUPAC Name1-(4-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCNC(=O)C(NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H21ClF2N2O2/c1-25-19(27)18(13-4-9-16(23)17(24)12-13)26-20(28)21(10-2-3-11-21)14-5-7-15(22)8-6-14/h4-9,12,18H,2-3,10-11H2,1H3,(H,25,27)(H,26,28)
InChIKeyVALDLVKFKTVCOU-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.86
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 97062198
4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide
CID 78834572
1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide
CID 168737013
1-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]cyclopentane-1-carboxamide
CID 97185327
N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
CID 95402613
2-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55501724
2-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 55502195
4-chloro-N-[4-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-4-oxobutyl]benzamide
CID 55501712
(E)-3-(2,6-dichlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 78841512
1-(4-chlorophenyl)-N-[(2S)-1-[[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]amino]-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 137365724
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719602
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 46541078

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide (CID 78841474) is 1-(4-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide is CNC(=O)C(NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The InChIKey is VALDLVKFKTVCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N2O2/c1-25-19(27)18(13-4-9-16(23)17(24)12-13)26-20(28)21(10-2-3-11-21)14-5-7-15(22)8-6-14/h4-9,12,18H,2-3,10-11H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 1-(4-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide has a molecular weight of 406.86 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 78841474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).