3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide

C16H15BrClNO2 — CID 103988657

IUPAC3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(NC(=O)c2cccc(Br)c2Cl)cc1
InChIInChI=1S/C16H15BrClNO2/c1-10(2)21-12-8-6-11(7-9-12)19-16(20)13-4-3-5-14(17)15(13)18/h3-10H,1-2H3,(H,19,20)
InChIKeyPUUHFNJFNSQLOP-UHFFFAOYSA-N
MW368.66 g/mol
LogP5.14
Rot. Bonds4

About 3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide

3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide (PubChem CID 103988657) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide
PubChem CID103988657
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(NC(=O)c2cccc(Br)c2Cl)cc1
InChIInChI=1S/C16H15BrClNO2/c1-10(2)21-12-8-6-11(7-9-12)19-16(20)13-4-3-5-14(17)15(13)18/h3-10H,1-2H3,(H,19,20)
InChIKeyPUUHFNJFNSQLOP-UHFFFAOYSA-N
XLogP5.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.66
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide 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

2-bromo-3-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 103853348
2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide
CID 114370108
3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide
CID 103988954
3-bromo-2-chloro-N-(4-nitrophenyl)benzamide
CID 103977639
2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 55749089
3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide
CID 103989322
N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52773243
3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide
CID 113402951
2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 103985509
3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
CID 103988533
3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide
CID 103990852

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide (CID 103988657) is 3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide is CC(C)Oc1ccc(NC(=O)c2cccc(Br)c2Cl)cc1.
What is the InChIKey of 3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide?
The InChIKey is PUUHFNJFNSQLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-10(2)21-12-8-6-11(7-9-12)19-16(20)13-4-3-5-14(17)15(13)18/h3-10H,1-2H3,(H,19,20).
What are the key properties of 3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide?
3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide has a molecular weight of 368.66 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 103988657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).