1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide

C14H19ClN2O — CID 115448423

IUPAC1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1(CN)CCC1)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10(11-5-2-3-6-12(11)15)17-13(18)14(9-16)7-4-8-14/h2-3,5-6,10H,4,7-9,16H2,1H3,(H,17,18)
InChIKeyQZYOCESIDTYWON-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.65
Rot. Bonds4

About 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 115448423) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide
PubChem CID115448423
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1(CN)CCC1)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10(11-5-2-3-6-12(11)15)17-13(18)14(9-16)7-4-8-14/h2-3,5-6,10H,4,7-9,16H2,1H3,(H,17,18)
InChIKeyQZYOCESIDTYWON-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918857
1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide
CID 55037857
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 80586699
1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide
CID 115447507
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 81379266
1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856
1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115447485
1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 115453236
1-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)cyclobutane-1-carboxamide
CID 167870150
1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119685506
N-[1-(2-chlorophenyl)ethyl]-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76921408
1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115447690

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide (CID 115448423) is 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide is CC(NC(=O)C1(CN)CCC1)c1ccccc1Cl.
What is the InChIKey of 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is QZYOCESIDTYWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10(11-5-2-3-6-12(11)15)17-13(18)14(9-16)7-4-8-14/h2-3,5-6,10H,4,7-9,16H2,1H3,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115448423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).