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

C13H17ClN4O2 — CID 120505177

IUPACN-[(2S)-1-aminopropan-2-yl]-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESC[C@@H](CN)NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1
InChIInChI=1S/C13H17ClN4O2/c1-8(7-15)17-12(19)9-2-3-10(14)11(6-9)18-5-4-16-13(18)20/h2-3,6,8H,4-5,7,15H2,1H3,(H,16,20)(H,17,19)/t8-/m0/s1
InChIKeyJBMDHRBKDTVEFS-QMMMGPOBSA-N
MW296.76 g/mol
LogP0.95
Rot. Bonds4

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

N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 120505177) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID120505177
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESC[C@@H](CN)NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1
InChIInChI=1S/C13H17ClN4O2/c1-8(7-15)17-12(19)9-2-3-10(14)11(6-9)18-5-4-16-13(18)20/h2-3,6,8H,4-5,7,15H2,1H3,(H,16,20)(H,17,19)/t8-/m0/s1
InChIKeyJBMDHRBKDTVEFS-QMMMGPOBSA-N
XLogP0.95
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119615884
2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid
CID 119224117
N-(1-amino-2,4-dimethylpentan-2-yl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
CID 119599252
N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119574562
N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide
CID 120508709
4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid
CID 119204560
N-(3-amino-2-methylpropyl)-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 119998409
4-chloro-3-(2-oxoimidazolidin-1-yl)-N-piperidin-3-ylbenzamide
CID 119427326
N-(5-bromo-3-chloro-2-hydroxyphenyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71906365
2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547529
N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119997552
2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696743

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide (CID 120505177) is N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide is C[C@@H](CN)NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is JBMDHRBKDTVEFS-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-8(7-15)17-12(19)9-2-3-10(14)11(6-9)18-5-4-16-13(18)20/h2-3,6,8H,4-5,7,15H2,1H3,(H,16,20)(H,17,19)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide?
N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 296.76 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 120505177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).