4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide

C17H17BrClNO — CID 81295242

IUPAC4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C17H17BrClNO/c1-3-12-4-6-13(7-5-12)11-20(2)17(21)14-8-9-15(18)16(19)10-14/h4-10H,3,11H2,1-2H3
InChIKeyPDXDDZGHRRDBPV-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.94
Rot. Bonds4

About 4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide

4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide (PubChem CID 81295242) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
PubChem CID81295242
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C17H17BrClNO/c1-3-12-4-6-13(7-5-12)11-20(2)17(21)14-8-9-15(18)16(19)10-14/h4-10H,3,11H2,1-2H3
InChIKeyPDXDDZGHRRDBPV-UHFFFAOYSA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide
CID 81458308
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401
4-bromo-N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methylbenzamide
CID 81295413
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630930
4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80975840
3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 34889742
4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 80976057
4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 80976268
4-bromo-3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 80979892
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
4-bromo-3-chloro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 80979921

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide (CID 81295242) is 4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide is CCc1ccc(CN(C)C(=O)c2ccc(Br)c(Cl)c2)cc1.
What is the InChIKey of 4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide?
The InChIKey is PDXDDZGHRRDBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-3-12-4-6-13(7-5-12)11-20(2)17(21)14-8-9-15(18)16(19)10-14/h4-10H,3,11H2,1-2H3.
What are the key properties of 4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide?
4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide has a molecular weight of 366.69 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 81295242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).