2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide

C17H21BrN2O2 — CID 109140751

IUPAC2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CC1C(=O)N1CCCCCC1
InChIInChI=1S/C17H21BrN2O2/c18-12-6-5-7-13(10-12)19-16(21)14-11-15(14)17(22)20-8-3-1-2-4-9-20/h5-7,10,14-15H,1-4,8-9,11H2,(H,19,21)
InChIKeyBWLLGGRYTWDKOK-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.43
Rot. Bonds3

About 2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide

2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide (PubChem CID 109140751) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide
PubChem CID109140751
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC Name2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CC1C(=O)N1CCCCCC1
InChIInChI=1S/C17H21BrN2O2/c18-12-6-5-7-13(10-12)19-16(21)14-11-15(14)17(22)20-8-3-1-2-4-9-20/h5-7,10,14-15H,1-4,8-9,11H2,(H,19,21)
InChIKeyBWLLGGRYTWDKOK-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 109140677
N-(3-chlorophenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131903
methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109132315
2-(azepane-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 109140728
N-(3,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131966
4-(azepane-1-carbonyl)-N-(3-bromophenyl)piperidine-1-carbothioamide
CID 9237940
2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144039
methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109134760
3-[(3-bromophenyl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 126697825
1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109144038
N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134431
N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103

Frequently Asked Questions

What is the IUPAC name of 2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide (CID 109140751) is 2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide is O=C(Nc1cccc(Br)c1)C1CC1C(=O)N1CCCCCC1.
What is the InChIKey of 2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide?
The InChIKey is BWLLGGRYTWDKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c18-12-6-5-7-13(10-12)19-16(21)14-11-15(14)17(22)20-8-3-1-2-4-9-20/h5-7,10,14-15H,1-4,8-9,11H2,(H,19,21).
What are the key properties of 2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide?
2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide has a molecular weight of 365.27 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109140751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).