N-[1-[benzyl(2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide

C28H31FN2O2 — CID 42703969

IUPACN-[1-[benzyl(2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide
SMILESCCC(C)C(NC(=O)c1ccccc1F)C(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H31FN2O2/c1-3-21(2)26(30-27(32)24-16-10-11-17-25(24)29)28(33)31(20-23-14-8-5-9-15-23)19-18-22-12-6-4-7-13-22/h4-17,21,26H,3,18-20H2,1-2H3,(H,30,32)
InChIKeyDYMTUTFMCRRWBD-UHFFFAOYSA-N
MW446.57 g/mol
LogP5.24
Rot. Bonds10

About N-[1-[benzyl(2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide

N-[1-[benzyl(2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide (PubChem CID 42703969) has the molecular formula C28H31FN2O2 and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[1-[benzyl(2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[benzyl(2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide
PubChem CID42703969
Molecular FormulaC28H31FN2O2
Molecular Weight446.57 g/mol
Exact Mass446.24
IUPAC NameN-[1-[benzyl(2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide
SMILESCCC(C)C(NC(=O)c1ccccc1F)C(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H31FN2O2/c1-3-21(2)26(30-27(32)24-16-10-11-17-25(24)29)28(33)31(20-23-14-8-5-9-15-23)19-18-22-12-6-4-7-13-22/h4-17,21,26H,3,18-20H2,1-2H3,(H,30,32)
InChIKeyDYMTUTFMCRRWBD-UHFFFAOYSA-N
XLogP5.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.57
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[benzyl(2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide with MolForge

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Related Compounds

methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate
CID 60645470
N-benzyl-2-[(2,3-dichlorophenyl)carbamoylamino]-3-methyl-N-(2-phenylethyl)pentanamide
CID 42703977
N-[1-[benzyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 78796190
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 35975308
2-fluoro-N-[3-methyl-1-oxo-1-(phenylmethoxyamino)butan-2-yl]benzamide
CID 51151730
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
2-fluoro-N-(1-phenylbutan-2-yl)benzamide
CID 2973548
methyl N-[1-[aminomethyl(4-phenylbutyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate;hydrochloride
CID 174331402
N-[(2S)-1-(2-cyanoethylamino)-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide
CID 127054389
N-[1-[(5-bromo-2-fluorophenyl)methyl-ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 112817434
(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 61164685
N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 46527264

Frequently Asked Questions

What is the IUPAC name of N-[1-[benzyl(2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[1-[benzyl(2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide (CID 42703969) is N-[1-[benzyl(2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-[benzyl(2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[1-[benzyl(2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide is CCC(C)C(NC(=O)c1ccccc1F)C(=O)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[1-[benzyl(2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide?
The InChIKey is DYMTUTFMCRRWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN2O2/c1-3-21(2)26(30-27(32)24-16-10-11-17-25(24)29)28(33)31(20-23-14-8-5-9-15-23)19-18-22-12-6-4-7-13-22/h4-17,21,26H,3,18-20H2,1-2H3,(H,30,32).
What are the key properties of N-[1-[benzyl(2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide?
N-[1-[benzyl(2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide has a molecular weight of 446.57 g/mol, XLogP of 5.24, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[benzyl(2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 42703969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).