1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide

C15H20ClFN2O — CID 115443760

IUPAC1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide
SMILESNCC1(C(=O)Nc2cccc(Cl)c2F)CCCCCC1
InChIInChI=1S/C15H20ClFN2O/c16-11-6-5-7-12(13(11)17)19-14(20)15(10-18)8-3-1-2-4-9-15/h5-7H,1-4,8-10,18H2,(H,19,20)
InChIKeyBZUYDQXLIQTPJP-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.72
Rot. Bonds3

About 1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide

1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide (PubChem CID 115443760) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide
PubChem CID115443760
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide
SMILESNCC1(C(=O)Nc2cccc(Cl)c2F)CCCCCC1
InChIInChI=1S/C15H20ClFN2O/c16-11-6-5-7-12(13(11)17)19-14(20)15(10-18)8-3-1-2-4-9-15/h5-7H,1-4,8-10,18H2,(H,19,20)
InChIKeyBZUYDQXLIQTPJP-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide
CID 115438956
1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide
CID 103479480
1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115437214
1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
CID 115443708
1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide
CID 113309812
3-amino-N-(3-chloro-2-fluorophenyl)propanamide
CID 28969296
1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide
CID 115443739
1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone
CID 102865265
1-(aminomethyl)-N-(2,3-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670553
1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide
CID 80587976
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]benzamide
CID 115434729
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-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide (CID 115443760) is 1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide is NCC1(C(=O)Nc2cccc(Cl)c2F)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide?
The InChIKey is BZUYDQXLIQTPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c16-11-6-5-7-12(13(11)17)19-14(20)15(10-18)8-3-1-2-4-9-15/h5-7H,1-4,8-10,18H2,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide?
1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide has a molecular weight of 298.79 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 115443760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).