3-bromo-2-chloro-N-(2-propylphenyl)benzamide

C16H15BrClNO — CID 103988574

IUPAC3-bromo-2-chloro-N-(2-propylphenyl)benzamide
SMILESCCCc1ccccc1NC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C16H15BrClNO/c1-2-6-11-7-3-4-10-14(11)19-16(20)12-8-5-9-13(17)15(12)18/h3-5,7-10H,2,6H2,1H3,(H,19,20)
InChIKeyWGCILIVVLHOTSZ-UHFFFAOYSA-N
MW352.66 g/mol
LogP5.31
Rot. Bonds4

About 3-bromo-2-chloro-N-(2-propylphenyl)benzamide

3-bromo-2-chloro-N-(2-propylphenyl)benzamide (PubChem CID 103988574) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2-propylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2-propylphenyl)benzamide
PubChem CID103988574
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name3-bromo-2-chloro-N-(2-propylphenyl)benzamide
SMILESCCCc1ccccc1NC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C16H15BrClNO/c1-2-6-11-7-3-4-10-14(11)19-16(20)12-8-5-9-13(17)15(12)18/h3-5,7-10H,2,6H2,1H3,(H,19,20)
InChIKeyWGCILIVVLHOTSZ-UHFFFAOYSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.66
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide
CID 103983155
3-chloro-N-(2-propylphenyl)pyridine-4-carboxamide
CID 66482935
N-(2-propylphenyl)-1H-indole-4-carboxamide
CID 61273584
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
(3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone
CID 141141548
4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide
CID 81226564
2,6-dichloro-N-[(2-propylphenyl)carbamoyl]benzamide
CID 21197441
3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
CID 107956658
3-bromo-4-fluoro-N-(2-propylphenyl)benzamide
CID 103706788
ethane;N-(2-propylphenyl)acetamide
CID 142804217
N-[2-(aminomethyl)phenyl]-2,3-dichlorobenzamide
CID 64882330
2-hydroxy-N-(2-pentylphenyl)benzamide
CID 90027377

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2-propylphenyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2-propylphenyl)benzamide (CID 103988574) is 3-bromo-2-chloro-N-(2-propylphenyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2-propylphenyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2-propylphenyl)benzamide is CCCc1ccccc1NC(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(2-propylphenyl)benzamide?
The InChIKey is WGCILIVVLHOTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-2-6-11-7-3-4-10-14(11)19-16(20)12-8-5-9-13(17)15(12)18/h3-5,7-10H,2,6H2,1H3,(H,19,20).
What are the key properties of 3-bromo-2-chloro-N-(2-propylphenyl)benzamide?
3-bromo-2-chloro-N-(2-propylphenyl)benzamide has a molecular weight of 352.66 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(2-propylphenyl)benzamide is sourced from PubChem (CID 103988574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).