N-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide

C18H23ClN4O3 — CID 119605285

IUPACN-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESNCC1CCCC1NC(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H23ClN4O3/c19-12-4-6-13(7-5-12)23-17(25)15(22-18(23)26)8-9-16(24)21-14-3-1-2-11(14)10-20/h4-7,11,14-15H,1-3,8-10,20H2,(H,21,24)(H,22,26)
InChIKeyUHUYGNGWWPCURT-UHFFFAOYSA-N
MW378.86 g/mol
LogP1.79
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide

N-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 119605285) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID119605285
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESNCC1CCCC1NC(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H23ClN4O3/c19-12-4-6-13(7-5-12)23-17(25)15(22-18(23)26)8-9-16(24)21-14-3-1-2-11(14)10-20/h4-7,11,14-15H,1-3,8-10,20H2,(H,21,24)(H,22,26)
InChIKeyUHUYGNGWWPCURT-UHFFFAOYSA-N
XLogP1.79
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119429245
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 119576008
2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid
CID 119350473
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514778
N-[2-(aminomethyl)cyclohexyl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 119610524
(2S)-2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-4-methylpentanoic acid
CID 119362153
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide
CID 119604389
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120650855
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119604388
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 167837601
N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide
CID 119602349
N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 119603915

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide (CID 119605285) is N-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide is NCC1CCCC1NC(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is UHUYGNGWWPCURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3/c19-12-4-6-13(7-5-12)23-17(25)15(22-18(23)26)8-9-16(24)21-14-3-1-2-11(14)10-20/h4-7,11,14-15H,1-3,8-10,20H2,(H,21,24)(H,22,26).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
N-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 378.86 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 119605285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).