1-(2-bromoanilino)cycloheptane-1-carboxamide

C14H19BrN2O — CID 54891882

IUPAC1-(2-bromoanilino)cycloheptane-1-carboxamide
SMILESNC(=O)C1(Nc2ccccc2Br)CCCCCC1
InChIInChI=1S/C14H19BrN2O/c15-11-7-3-4-8-12(11)17-14(13(16)18)9-5-1-2-6-10-14/h3-4,7-8,17H,1-2,5-6,9-10H2,(H2,16,18)
InChIKeyYVHZVAZOXANYAQ-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.44
Rot. Bonds3

About 1-(2-bromoanilino)cycloheptane-1-carboxamide

1-(2-bromoanilino)cycloheptane-1-carboxamide (PubChem CID 54891882) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(2-bromoanilino)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(2-bromoanilino)cycloheptane-1-carboxamide
PubChem CID54891882
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-(2-bromoanilino)cycloheptane-1-carboxamide
SMILESNC(=O)C1(Nc2ccccc2Br)CCCCCC1
InChIInChI=1S/C14H19BrN2O/c15-11-7-3-4-8-12(11)17-14(13(16)18)9-5-1-2-6-10-14/h3-4,7-8,17H,1-2,5-6,9-10H2,(H2,16,18)
InChIKeyYVHZVAZOXANYAQ-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromoanilino)cyclohexane-1-carboxylic acid
CID 60992832
1-(2-chloroanilino)cycloheptane-1-carboxamide
CID 54892250
1-(2-chloroanilino)cyclooctane-1-carboxamide
CID 54892443
8-(2-bromoanilino)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 61006229
3-(2-bromoanilino)-1,1-dioxothiolane-3-carboxamide
CID 63166117
4-(2-bromoanilino)-1-propan-2-ylazepane-4-carboxamide
CID 65076342
4-(2-bromoanilino)-1-ethylazepane-4-carboxamide
CID 65076343
1-(2-bromoanilino)cyclobutane-1-carboxylic acid
CID 62389463
1-(2-bromoanilino)-4-methoxycyclohexane-1-carboxamide
CID 113414494
4-(2-bromoanilino)-1-ethylpiperidine-4-carboxamide
CID 54892029
1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide
CID 64750715
ethyl 1-(2-bromoanilino)cyclobutane-1-carboxylate
CID 62389465

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoanilino)cycloheptane-1-carboxamide?
The IUPAC name of 1-(2-bromoanilino)cycloheptane-1-carboxamide (CID 54891882) is 1-(2-bromoanilino)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(2-bromoanilino)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(2-bromoanilino)cycloheptane-1-carboxamide is NC(=O)C1(Nc2ccccc2Br)CCCCCC1.
What is the InChIKey of 1-(2-bromoanilino)cycloheptane-1-carboxamide?
The InChIKey is YVHZVAZOXANYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-11-7-3-4-8-12(11)17-14(13(16)18)9-5-1-2-6-10-14/h3-4,7-8,17H,1-2,5-6,9-10H2,(H2,16,18).
What are the key properties of 1-(2-bromoanilino)cycloheptane-1-carboxamide?
1-(2-bromoanilino)cycloheptane-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoanilino)cycloheptane-1-carboxamide is sourced from PubChem (CID 54891882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).