N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide

C11H15ClN2O — CID 120508709

IUPACN-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide
SMILESCc1cc(C(=O)N[C@@H](C)CN)ccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-7-5-9(3-4-10(7)12)11(15)14-8(2)6-13/h3-5,8H,6,13H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyYIQPJXWDWMGOKI-QMMMGPOBSA-N
MW226.71 g/mol
LogP1.73
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide

N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide (PubChem CID 120508709) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide
PubChem CID120508709
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide
SMILESCc1cc(C(=O)N[C@@H](C)CN)ccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-7-5-9(3-4-10(7)12)11(15)14-8(2)6-13/h3-5,8H,6,13H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyYIQPJXWDWMGOKI-QMMMGPOBSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid
CID 113397105
N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide
CID 113265964
N-[(2S)-1-aminopropan-2-yl]-3-bromo-4-methylbenzamide;hydrochloride
CID 120507815
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 120507834
methyl 2-[(4-chloro-3-methylbenzoyl)amino]-3-methylbutanoate
CID 113256400
N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide
CID 112701453
N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride
CID 119385642
N-[(2R)-1-aminopropan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753746
N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
CID 120505177
N-[(2S)-6-aminohexan-2-yl]-3,4-dichlorobenzamide;sulfane
CID 158295050
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
N-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride
CID 120509165

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide (CID 120508709) is N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide is Cc1cc(C(=O)N[C@@H](C)CN)ccc1Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide?
The InChIKey is YIQPJXWDWMGOKI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-7-5-9(3-4-10(7)12)11(15)14-8(2)6-13/h3-5,8H,6,13H2,1-2H3,(H,14,15)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide?
N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide has a molecular weight of 226.71 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide is sourced from PubChem (CID 120508709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).