1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide

C13H17ClN2O — CID 113311558

IUPAC1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCc2ccc(Cl)cc2)CCC1
InChIInChI=1S/C13H17ClN2O/c14-11-4-2-10(3-5-11)8-16-12(17)13(9-15)6-1-7-13/h2-5H,1,6-9,15H2,(H,16,17)
InChIKeyWZNFHQUTCXSADF-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.09
Rot. Bonds4

About 1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 113311558) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
PubChem CID113311558
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCc2ccc(Cl)cc2)CCC1
InChIInChI=1S/C13H17ClN2O/c14-11-4-2-10(3-5-11)8-16-12(17)13(9-15)6-1-7-13/h2-5H,1,6-9,15H2,(H,16,17)
InChIKeyWZNFHQUTCXSADF-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[1-(aminomethyl)cyclohexanecarbonyl]amino]methyl]benzoic acid
CID 115437664
1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide
CID 115183513
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80587002
1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680
1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
CID 81489545
1-(aminomethyl)-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 81484979
1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 81485479
3-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]benzoic acid
CID 115448296
1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80588402
1-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide
CID 80588239
N-[1-(aminomethyl)cyclopentyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide
CID 119566154
4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide
CID 115453093

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide (CID 113311558) is 1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide is NCC1(C(=O)NCc2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is WZNFHQUTCXSADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-11-4-2-10(3-5-11)8-16-12(17)13(9-15)6-1-7-13/h2-5H,1,6-9,15H2,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 113311558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).