3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide

C16H15BrClNO — CID 107952307

IUPAC3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide
SMILESCCN(C(=O)c1cc(Cl)cc(Br)c1)c1ccc(C)cc1
InChIInChI=1S/C16H15BrClNO/c1-3-19(15-6-4-11(2)5-7-15)16(20)12-8-13(17)10-14(18)9-12/h4-10H,3H2,1-2H3
InChIKeyDUXJEPZKCIUTNK-UHFFFAOYSA-N
MW352.66 g/mol
LogP5.08
Rot. Bonds3

About 3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide

3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide (PubChem CID 107952307) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide
PubChem CID107952307
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide
SMILESCCN(C(=O)c1cc(Cl)cc(Br)c1)c1ccc(C)cc1
InChIInChI=1S/C16H15BrClNO/c1-3-19(15-6-4-11(2)5-7-15)16(20)12-8-13(17)10-14(18)9-12/h4-10H,3H2,1-2H3
InChIKeyDUXJEPZKCIUTNK-UHFFFAOYSA-N
XLogP5.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.66
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide
CID 107952279
3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide
CID 104854747
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide
CID 63185035
2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid
CID 107937807
6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 66463938
N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide
CID 104627675
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 113286144
methyl 2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetate
CID 103826884
N-ethyl-3-methyl-4-(methylamino)-N-(4-methylphenyl)benzamide
CID 63213973
N-(3-aminophenyl)-3-bromo-5-chloro-N-propylbenzamide
CID 107937520

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide (CID 107952307) is 3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide is CCN(C(=O)c1cc(Cl)cc(Br)c1)c1ccc(C)cc1.
What is the InChIKey of 3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide?
The InChIKey is DUXJEPZKCIUTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-3-19(15-6-4-11(2)5-7-15)16(20)12-8-13(17)10-14(18)9-12/h4-10H,3H2,1-2H3.
What are the key properties of 3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide?
3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide has a molecular weight of 352.66 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 107952307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).