5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide

C17H17BrClNO — CID 60630930

IUPAC5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C17H17BrClNO/c1-3-12-4-6-13(7-5-12)11-20(2)17(21)15-10-14(18)8-9-16(15)19/h4-10H,3,11H2,1-2H3
InChIKeyAGTLUCXHXIPZJZ-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.94
Rot. Bonds4

About 5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide

5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide (PubChem CID 60630930) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
PubChem CID60630930
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C17H17BrClNO/c1-3-12-4-6-13(7-5-12)11-20(2)17(21)15-10-14(18)8-9-16(15)19/h4-10H,3,11H2,1-2H3
InChIKeyAGTLUCXHXIPZJZ-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

4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
5-bromo-N-butyl-2-chloro-N-methylbenzamide
CID 60653969
5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600040
4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 81295242
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401
4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81225270
3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482539
5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 18209420
5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide
CID 61139486
5-bromo-N-[(4-fluorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600097
2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide
CID 61118172
5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 79003905

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide (CID 60630930) is 5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide is CCc1ccc(CN(C)C(=O)c2cc(Br)ccc2Cl)cc1.
What is the InChIKey of 5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide?
The InChIKey is AGTLUCXHXIPZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-3-12-4-6-13(7-5-12)11-20(2)17(21)15-10-14(18)8-9-16(15)19/h4-10H,3,11H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide?
5-bromo-2-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 5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 60630930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).