1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide

C13H14ClN3O — CID 107808093

IUPAC1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2(CN)CCC2)c(Cl)c1
InChIInChI=1S/C13H14ClN3O/c14-10-6-9(7-15)2-3-11(10)17-12(18)13(8-16)4-1-5-13/h2-3,6H,1,4-5,8,16H2,(H,17,18)
InChIKeyHPMDLIXVYOTZEL-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.28
Rot. Bonds3

About 1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide (PubChem CID 107808093) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide
PubChem CID107808093
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2(CN)CCC2)c(Cl)c1
InChIInChI=1S/C13H14ClN3O/c14-10-6-9(7-15)2-3-11(10)17-12(18)13(8-16)4-1-5-13/h2-3,6H,1,4-5,8,16H2,(H,17,18)
InChIKeyHPMDLIXVYOTZEL-UHFFFAOYSA-N
XLogP2.28
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide
CID 113311601
1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide
CID 104848800
1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115437214
1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide
CID 115434808
4-amino-N-(2-chloro-4-cyanophenyl)oxane-4-carboxamide
CID 107808130
1-(aminomethyl)-N-(4-bromo-2-cyanophenyl)cyclobutane-1-carboxamide
CID 82708785
1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
CID 115443708
1-(aminomethyl)-N-(2,4,6-trichlorophenyl)cyclobutane-1-carboxamide
CID 115447386
1-(aminomethyl)-N-(5-bromo-2-cyanophenyl)cyclobutane-1-carboxamide
CID 107798245
1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide
CID 80586877
1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide
CID 115447750
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3,5-dichlorobenzoic acid
CID 82830276

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide (CID 107808093) is 1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide is N#Cc1ccc(NC(=O)C2(CN)CCC2)c(Cl)c1.
What is the InChIKey of 1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide?
The InChIKey is HPMDLIXVYOTZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-10-6-9(7-15)2-3-11(10)17-12(18)13(8-16)4-1-5-13/h2-3,6H,1,4-5,8,16H2,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 107808093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).