1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide

C15H20BrFN2O — CID 107625627

IUPAC1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide
SMILESNCC1(C(=O)Nc2cc(F)ccc2Br)CCCCCC1
InChIInChI=1S/C15H20BrFN2O/c16-12-6-5-11(17)9-13(12)19-14(20)15(10-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10,18H2,(H,19,20)
InChIKeyKXUKFCLZTJWFNW-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.83
Rot. Bonds3

About 1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide

1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide (PubChem CID 107625627) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide
PubChem CID107625627
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC Name1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide
SMILESNCC1(C(=O)Nc2cc(F)ccc2Br)CCCCCC1
InChIInChI=1S/C15H20BrFN2O/c16-12-6-5-11(17)9-13(12)19-14(20)15(10-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10,18H2,(H,19,20)
InChIKeyKXUKFCLZTJWFNW-UHFFFAOYSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82757222
1-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674013
1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115437214
1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide
CID 113309812
1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide
CID 80586877
1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide
CID 82756642
1-(aminomethyl)-N-(4-bromo-3-fluorophenyl)cycloheptane-1-carboxamide
CID 115444172
1-(aminomethyl)-N-[(2-bromo-5-fluorophenyl)methyl]cycloheptane-1-carboxamide
CID 115443918
1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide
CID 115443809
1-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)cycloheptane-1-carboxamide
CID 107592153
3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-4-bromobenzoic acid
CID 107813532
1-(aminomethyl)-N-(2,4-dibromo-5-methoxyphenyl)cyclohexane-1-carboxamide
CID 103413985

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide (CID 107625627) is 1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide is NCC1(C(=O)Nc2cc(F)ccc2Br)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide?
The InChIKey is KXUKFCLZTJWFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c16-12-6-5-11(17)9-13(12)19-14(20)15(10-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10,18H2,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide?
1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide has a molecular weight of 343.24 g/mol, XLogP of 3.83, 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-bromo-5-fluorophenyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 107625627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).