4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide

C14H20ClN3O2 — CID 119742691

IUPAC4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)[C@@H](N)CC(C)C)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-8(2)6-12(16)14(20)18-9-4-5-10(11(15)7-9)13(19)17-3/h4-5,7-8,12H,6,16H2,1-3H3,(H,17,19)(H,18,20)/t12-/m0/s1
InChIKeyAMUSRJRNVAECBB-LBPRGKRZSA-N
MW297.79 g/mol
LogP2.01
Rot. Bonds5

About 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide

4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide (PubChem CID 119742691) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide
PubChem CID119742691
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)[C@@H](N)CC(C)C)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-8(2)6-12(16)14(20)18-9-4-5-10(11(15)7-9)13(19)17-3/h4-5,7-8,12H,6,16H2,1-3H3,(H,17,19)(H,18,20)/t12-/m0/s1
InChIKeyAMUSRJRNVAECBB-LBPRGKRZSA-N
XLogP2.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47325563
2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide
CID 54862641
(2S)-2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-4-methylpentanamide;hydrochloride
CID 119776951
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide
CID 119717907
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-hydroxybenzoic acid
CID 61159275
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119717906
5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide
CID 60928001
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-(thiophen-2-ylmethyl)benzamide
CID 119816424
2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide
CID 47325828
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide?
The IUPAC name of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide (CID 119742691) is 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide.
What is the SMILES notation for 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide?
The canonical SMILES for 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)[C@@H](N)CC(C)C)cc1Cl.
What is the InChIKey of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide?
The InChIKey is AMUSRJRNVAECBB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-8(2)6-12(16)14(20)18-9-4-5-10(11(15)7-9)13(19)17-3/h4-5,7-8,12H,6,16H2,1-3H3,(H,17,19)(H,18,20)/t12-/m0/s1.
What are the key properties of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide?
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide has a molecular weight of 297.79 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide is sourced from PubChem (CID 119742691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).