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

C15H21ClN2O — CID 115447507

IUPAC1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide
SMILESCC(Cc1ccccc1Cl)NC(=O)C1(CN)CCC1
InChIInChI=1S/C15H21ClN2O/c1-11(9-12-5-2-3-6-13(12)16)18-14(19)15(10-17)7-4-8-15/h2-3,5-6,11H,4,7-10,17H2,1H3,(H,18,19)
InChIKeyYBJKGSNYDBDRMR-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.52
Rot. Bonds5

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

1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide (PubChem CID 115447507) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide
PubChem CID115447507
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide
SMILESCC(Cc1ccccc1Cl)NC(=O)C1(CN)CCC1
InChIInChI=1S/C15H21ClN2O/c1-11(9-12-5-2-3-6-13(12)16)18-14(19)15(10-17)7-4-8-15/h2-3,5-6,11H,4,7-10,17H2,1H3,(H,18,19)
InChIKeyYBJKGSNYDBDRMR-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115448423
1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 81490077
1-(aminomethyl)-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 81484979
4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide
CID 115439164
1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 113311585
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 80586699
4-(aminomethyl)-N-[1-(2-fluorophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120924178
1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 81486715
4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120936516
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397
3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 81489482
1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide (CID 115447507) is 1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide is CC(Cc1ccccc1Cl)NC(=O)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide?
The InChIKey is YBJKGSNYDBDRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(9-12-5-2-3-6-13(12)16)18-14(19)15(10-17)7-4-8-15/h2-3,5-6,11H,4,7-10,17H2,1H3,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 2.52, 5 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)propan-2-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115447507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).