1-(3-bromoanilino)cyclobutane-1-carboxamide

C11H13BrN2O — CID 61006550

IUPAC1-(3-bromoanilino)cyclobutane-1-carboxamide
SMILESNC(=O)C1(Nc2cccc(Br)c2)CCC1
InChIInChI=1S/C11H13BrN2O/c12-8-3-1-4-9(7-8)14-11(10(13)15)5-2-6-11/h1,3-4,7,14H,2,5-6H2,(H2,13,15)
InChIKeyAGWCOBXFZMLOMK-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.27
Rot. Bonds3

About 1-(3-bromoanilino)cyclobutane-1-carboxamide

1-(3-bromoanilino)cyclobutane-1-carboxamide (PubChem CID 61006550) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 1-(3-bromoanilino)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromoanilino)cyclobutane-1-carboxamide
PubChem CID61006550
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name1-(3-bromoanilino)cyclobutane-1-carboxamide
SMILESNC(=O)C1(Nc2cccc(Br)c2)CCC1
InChIInChI=1S/C11H13BrN2O/c12-8-3-1-4-9(7-8)14-11(10(13)15)5-2-6-11/h1,3-4,7,14H,2,5-6H2,(H2,13,15)
InChIKeyAGWCOBXFZMLOMK-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromoanilino)cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-bromoanilino)piperidine-3-carboxamide
CID 79307348
1-(3-bromoanilino)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 64755712
1-(3-methylanilino)cyclohexane-1-carboxamide
CID 54892073
ethyl 3-(3-bromoanilino)thiane-3-carboxylate
CID 62873291
1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide
CID 61006539
4-(3-methylanilino)-1,1-dioxothiane-4-carboxamide
CID 54983212
1-(4-methylanilino)cyclobutane-1-carboxamide
CID 61006087
1-(3-methylanilino)cyclobutane-1-carboxylic acid
CID 62389633
4-(3-bromoanilino)-1-ethylpiperidine-4-carboxylic acid
CID 54890731
1-(3-bromoanilino)-2,2-dimethylcyclohexane-1-carboxylic acid
CID 79847327
4-(3-fluoroanilino)thiane-4-carboxamide
CID 61319216
methyl 1-(3-bromoanilino)-3-propan-2-ylcyclohexane-1-carboxylate
CID 107449389

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoanilino)cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-bromoanilino)cyclobutane-1-carboxamide (CID 61006550) is 1-(3-bromoanilino)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-bromoanilino)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-bromoanilino)cyclobutane-1-carboxamide is NC(=O)C1(Nc2cccc(Br)c2)CCC1.
What is the InChIKey of 1-(3-bromoanilino)cyclobutane-1-carboxamide?
The InChIKey is AGWCOBXFZMLOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c12-8-3-1-4-9(7-8)14-11(10(13)15)5-2-6-11/h1,3-4,7,14H,2,5-6H2,(H2,13,15).
What are the key properties of 1-(3-bromoanilino)cyclobutane-1-carboxamide?
1-(3-bromoanilino)cyclobutane-1-carboxamide has a molecular weight of 269.14 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoanilino)cyclobutane-1-carboxamide is sourced from PubChem (CID 61006550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).