1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide

C14H18ClFN2O — CID 115437214

IUPAC1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(F)cc2Cl)CCCCC1
InChIInChI=1S/C14H18ClFN2O/c15-11-8-10(16)4-5-12(11)18-13(19)14(9-17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2,(H,18,19)
InChIKeyGMHGISHROVYUPN-UHFFFAOYSA-N
MW284.76 g/mol
LogP3.33
Rot. Bonds3

About 1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 115437214) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID115437214
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(F)cc2Cl)CCCCC1
InChIInChI=1S/C14H18ClFN2O/c15-11-8-10(16)4-5-12(11)18-13(19)14(9-17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2,(H,18,19)
InChIKeyGMHGISHROVYUPN-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide
CID 80586877
1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide
CID 107625627
1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
CID 115443708
1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide
CID 113311601
1-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674013
1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide
CID 115443760
1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide
CID 107808093
1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
CID 115452488
2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-5-fluorobenzoic acid
CID 113312903
1-[1-(aminomethyl)cycloheptyl]-2-(2-chloro-4-fluorophenyl)ethanone
CID 116602151
N-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 55177203
1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide (CID 115437214) is 1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide is NCC1(C(=O)Nc2ccc(F)cc2Cl)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is GMHGISHROVYUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c15-11-8-10(16)4-5-12(11)18-13(19)14(9-17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 284.76 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115437214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).