N-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide

C19H22ClN3O2 — CID 46643344

IUPACN-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
SMILESCC(C)C(NC(=O)Nc1ccccc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H22ClN3O2/c1-13(2)17(23-19(25)22-15-9-4-3-5-10-15)18(24)21-12-14-8-6-7-11-16(14)20/h3-11,13,17H,12H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyUOYJDYZZTOOZGQ-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.80
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide

N-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide (PubChem CID 46643344) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
PubChem CID46643344
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
SMILESCC(C)C(NC(=O)Nc1ccccc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H22ClN3O2/c1-13(2)17(23-19(25)22-15-9-4-3-5-10-15)18(24)21-12-14-8-6-7-11-16(14)20/h3-11,13,17H,12H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyUOYJDYZZTOOZGQ-UHFFFAOYSA-N
XLogP3.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2-fluorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 26002082
(2-chlorophenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617147
3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-2-(phenylcarbamoylamino)butanamide
CID 78773473
N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 55717388
2-[(2-chlorophenyl)methylcarbamoylamino]-3-hydroxybutanoic acid
CID 61182988
N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 17462903
(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 32674812
N-[(2R)-1-[(2-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 40720884
1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea
CID 23548600
N-[(2-chlorophenyl)methyl]-2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-3-methylbutanamide
CID 74827620
(2S)-N-(5-chloro-2-methylphenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 8502241
N-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 134061504

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide (CID 46643344) is N-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide is CC(C)C(NC(=O)Nc1ccccc1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide?
The InChIKey is UOYJDYZZTOOZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-13(2)17(23-19(25)22-15-9-4-3-5-10-15)18(24)21-12-14-8-6-7-11-16(14)20/h3-11,13,17H,12H2,1-2H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide?
N-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide has a molecular weight of 359.86 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide is sourced from PubChem (CID 46643344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).