3-bromo-5-chloro-N-(4-ethylphenyl)benzamide

C15H13BrClNO — CID 107951503

IUPAC3-bromo-5-chloro-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C15H13BrClNO/c1-2-10-3-5-14(6-4-10)18-15(19)11-7-12(16)9-13(17)8-11/h3-9H,2H2,1H3,(H,18,19)
InChIKeyWXNJQPINLKWGSG-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.92
Rot. Bonds3

About 3-bromo-5-chloro-N-(4-ethylphenyl)benzamide

3-bromo-5-chloro-N-(4-ethylphenyl)benzamide (PubChem CID 107951503) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(4-ethylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(4-ethylphenyl)benzamide
PubChem CID107951503
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name3-bromo-5-chloro-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C15H13BrClNO/c1-2-10-3-5-14(6-4-10)18-15(19)11-7-12(16)9-13(17)8-11/h3-9H,2H2,1H3,(H,18,19)
InChIKeyWXNJQPINLKWGSG-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide
CID 107951427
3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 3995292
3-bromo-5-chloro-N-(3-iodo-4-methylphenyl)benzamide
CID 107951955
3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide
CID 107951563
3-bromo-5-chloro-N-naphthalen-2-ylbenzamide
CID 107951653
5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid
CID 107937795
3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113286176
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107953792
N-(4-ethylphenyl)benzamide
CID 774063
2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 113255068
3-bromo-5-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 107951382

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(4-ethylphenyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(4-ethylphenyl)benzamide (CID 107951503) is 3-bromo-5-chloro-N-(4-ethylphenyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(4-ethylphenyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(4-ethylphenyl)benzamide is CCc1ccc(NC(=O)c2cc(Cl)cc(Br)c2)cc1.
What is the InChIKey of 3-bromo-5-chloro-N-(4-ethylphenyl)benzamide?
The InChIKey is WXNJQPINLKWGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-2-10-3-5-14(6-4-10)18-15(19)11-7-12(16)9-13(17)8-11/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of 3-bromo-5-chloro-N-(4-ethylphenyl)benzamide?
3-bromo-5-chloro-N-(4-ethylphenyl)benzamide has a molecular weight of 338.63 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(4-ethylphenyl)benzamide is sourced from PubChem (CID 107951503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).