N-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide

C16H23ClN4O2 — CID 119566154

IUPACN-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide
SMILESNCC1(NC(=O)CNC(=O)NCc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C16H23ClN4O2/c17-13-5-3-12(4-6-13)9-19-15(23)20-10-14(22)21-16(11-18)7-1-2-8-16/h3-6H,1-2,7-11,18H2,(H,21,22)(H2,19,20,23)
InChIKeyMCJCDNWBXMTINT-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.53
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide

N-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide (PubChem CID 119566154) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide
PubChem CID119566154
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide
SMILESNCC1(NC(=O)CNC(=O)NCc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C16H23ClN4O2/c17-13-5-3-12(4-6-13)9-19-15(23)20-10-14(22)21-16(11-18)7-1-2-8-16/h3-6H,1-2,7-11,18H2,(H,21,22)(H2,19,20,23)
InChIKeyMCJCDNWBXMTINT-UHFFFAOYSA-N
XLogP1.53
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
CID 113311558
N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide
CID 119610394
N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride
CID 119590150
1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680
1-amino-3-[(4-chlorophenyl)methyl]urea
CID 43163863
N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide
CID 47121122
N-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride
CID 119566570
N-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119565832
N-(2-amino-2-ethylbutyl)-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide;hydrochloride
CID 119641198
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115267473
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylphenyl)acetamide
CID 119564798
2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide
CID 119451180

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide (CID 119566154) is N-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide is NCC1(NC(=O)CNC(=O)NCc2ccc(Cl)cc2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide?
The InChIKey is MCJCDNWBXMTINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O2/c17-13-5-3-12(4-6-13)9-19-15(23)20-10-14(22)21-16(11-18)7-1-2-8-16/h3-6H,1-2,7-11,18H2,(H,21,22)(H2,19,20,23).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide?
N-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide has a molecular weight of 338.84 g/mol, XLogP of 1.53, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 119566154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).