N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide

C16H21ClN4O2 — CID 124698653

IUPACN-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide
SMILESNC[C@H]1CCC[C@H]1NC(=O)c1cc(N2CCNC2=O)ccc1Cl
InChIInChI=1S/C16H21ClN4O2/c17-13-5-4-11(21-7-6-19-16(21)23)8-12(13)15(22)20-14-3-1-2-10(14)9-18/h4-5,8,10,14H,1-3,6-7,9,18H2,(H,19,23)(H,20,22)/t10-,14-/m1/s1
InChIKeyMLPLHPGTLISZML-QMTHXVAHSA-N
MW336.82 g/mol
LogP1.73
Rot. Bonds4

About N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide

N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 124698653) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID124698653
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC NameN-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide
SMILESNC[C@H]1CCC[C@H]1NC(=O)c1cc(N2CCNC2=O)ccc1Cl
InChIInChI=1S/C16H21ClN4O2/c17-13-5-4-11(21-7-6-19-16(21)23)8-12(13)15(22)20-14-3-1-2-10(14)9-18/h4-5,8,10,14H,1-3,6-7,9,18H2,(H,19,23)(H,20,22)/t10-,14-/m1/s1
InChIKeyMLPLHPGTLISZML-QMTHXVAHSA-N
XLogP1.73
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 124702358
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 124594018
N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide
CID 119603606
N-(3-amino-2-methylpropyl)-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 119998409
1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one
CID 119487350
1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride
CID 120744003
2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide
CID 119504449
2-[1-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclobutyl]acetic acid
CID 119217782
(2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 119244300
1-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]imidazolidin-2-one
CID 119381905
N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride
CID 119612232
(2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid
CID 119359827

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide (CID 124698653) is N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide is NC[C@H]1CCC[C@H]1NC(=O)c1cc(N2CCNC2=O)ccc1Cl.
What is the InChIKey of N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is MLPLHPGTLISZML-QMTHXVAHSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c17-13-5-4-11(21-7-6-19-16(21)23)8-12(13)15(22)20-14-3-1-2-10(14)9-18/h4-5,8,10,14H,1-3,6-7,9,18H2,(H,19,23)(H,20,22)/t10-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide?
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 336.82 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 124698653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).