1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide

C15H20Br2N2O — CID 115443809

IUPAC1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(Br)cc2Br)CCCCCC1
InChIInChI=1S/C15H20Br2N2O/c16-11-5-6-13(12(17)9-11)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)
InChIKeyTYXAFNHGEZUVOO-UHFFFAOYSA-N
MW404.15 g/mol
LogP4.45
Rot. Bonds3

About 1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide

1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide (PubChem CID 115443809) has the molecular formula C15H20Br2N2O and a molecular weight of 404.15 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide
PubChem CID115443809
Molecular FormulaC15H20Br2N2O
Molecular Weight404.15 g/mol
Exact Mass401.99
IUPAC Name1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(Br)cc2Br)CCCCCC1
InChIInChI=1S/C15H20Br2N2O/c16-11-5-6-13(12(17)9-11)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)
InChIKeyTYXAFNHGEZUVOO-UHFFFAOYSA-N
XLogP4.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.15
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
CID 81484278
1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide
CID 113309812
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-4-bromobenzoic acid
CID 115437697
1-(aminomethyl)-N-(2-bromo-4-iodophenyl)cyclobutane-1-carboxamide
CID 114259927
1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide
CID 43702659
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-bromobenzoic acid
CID 115435155
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)cycloheptane-1-carboxamide
CID 115444052
1-(aminomethyl)-N-(2-bromo-4-nitrophenyl)cyclobutane-1-carboxamide
CID 115447730
1-(aminomethyl)-N-(4-bromo-2-cyanophenyl)cyclobutane-1-carboxamide
CID 82708785
1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide
CID 107625627
1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82757222
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide (CID 115443809) is 1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide is NCC1(C(=O)Nc2ccc(Br)cc2Br)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide?
The InChIKey is TYXAFNHGEZUVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N2O/c16-11-5-6-13(12(17)9-11)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-(2,4-dibromophenyl)cycloheptane-1-carboxamide?
1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide has a molecular weight of 404.15 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 115443809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).