(3R)-N-benzyl-N'-(3-chloro-4-methylphenyl)-3-methylpentanediamide

C20H23ClN2O2 — CID 7321085

IUPAC(3R)-N-benzyl-N'-(3-chloro-4-methylphenyl)-3-methylpentanediamide
SMILESCc1ccc(NC(=O)C[C@H](C)CC(=O)NCc2ccccc2)cc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-14(10-19(24)22-13-16-6-4-3-5-7-16)11-20(25)23-17-9-8-15(2)18(21)12-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,24)(H,23,25)/t14-/m1/s1
InChIKeySXVRGYSFQTZPFO-CQSZACIVSA-N
MW358.87 g/mol
LogP4.32
Rot. Bonds7

About (3R)-N-benzyl-N'-(3-chloro-4-methylphenyl)-3-methylpentanediamide

(3R)-N-benzyl-N'-(3-chloro-4-methylphenyl)-3-methylpentanediamide (PubChem CID 7321085) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is (3R)-N-benzyl-N'-(3-chloro-4-methylphenyl)-3-methylpentanediamide.

Molecular Properties

Compound Name(3R)-N-benzyl-N'-(3-chloro-4-methylphenyl)-3-methylpentanediamide
PubChem CID7321085
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name(3R)-N-benzyl-N'-(3-chloro-4-methylphenyl)-3-methylpentanediamide
SMILESCc1ccc(NC(=O)C[C@H](C)CC(=O)NCc2ccccc2)cc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-14(10-19(24)22-13-16-6-4-3-5-7-16)11-20(25)23-17-9-8-15(2)18(21)12-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,24)(H,23,25)/t14-/m1/s1
InChIKeySXVRGYSFQTZPFO-CQSZACIVSA-N
XLogP4.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide
CID 3498149
(3S)-N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide
CID 7324444
(2R)-2-(benzylamino)-4-(3-chloro-4-methylanilino)-4-oxobutanoic acid
CID 6936442
5-(3-chloro-4-methylanilino)-5-oxo-3-phenylpentanoic acid
CID 2826171
(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
CID 2665891
N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide
CID 60663237
N-(3-chloro-4-methylphenyl)-N'-[3-(dimethylamino)propyl]-3-phenylpentanediamide
CID 142061710
N-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7709326
N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024309
3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 109020626
N-(3-chloro-4-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 60615922
N-(3-chloro-4-methylphenyl)-3-[(3-hydroxy-2-methylpropyl)amino]butanamide
CID 110905995

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-N'-(3-chloro-4-methylphenyl)-3-methylpentanediamide?
The IUPAC name of (3R)-N-benzyl-N'-(3-chloro-4-methylphenyl)-3-methylpentanediamide (CID 7321085) is (3R)-N-benzyl-N'-(3-chloro-4-methylphenyl)-3-methylpentanediamide.
What is the SMILES notation for (3R)-N-benzyl-N'-(3-chloro-4-methylphenyl)-3-methylpentanediamide?
The canonical SMILES for (3R)-N-benzyl-N'-(3-chloro-4-methylphenyl)-3-methylpentanediamide is Cc1ccc(NC(=O)C[C@H](C)CC(=O)NCc2ccccc2)cc1Cl.
What is the InChIKey of (3R)-N-benzyl-N'-(3-chloro-4-methylphenyl)-3-methylpentanediamide?
The InChIKey is SXVRGYSFQTZPFO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14(10-19(24)22-13-16-6-4-3-5-7-16)11-20(25)23-17-9-8-15(2)18(21)12-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,24)(H,23,25)/t14-/m1/s1.
What are the key properties of (3R)-N-benzyl-N'-(3-chloro-4-methylphenyl)-3-methylpentanediamide?
(3R)-N-benzyl-N'-(3-chloro-4-methylphenyl)-3-methylpentanediamide has a molecular weight of 358.87 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-N'-(3-chloro-4-methylphenyl)-3-methylpentanediamide is sourced from PubChem (CID 7321085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).