2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide

C17H16BrClN2O2 — CID 112998185

IUPAC2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CNC(=O)Cc2ccccc2Br)cc1Cl
InChIInChI=1S/C17H16BrClN2O2/c1-11-6-7-13(9-15(11)19)21-17(23)10-20-16(22)8-12-4-2-3-5-14(12)18/h2-7,9H,8,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyIGZJZHMKCYXCDY-UHFFFAOYSA-N
MW395.68 g/mol
LogP3.71
Rot. Bonds5

About 2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide

2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide (PubChem CID 112998185) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
PubChem CID112998185
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC Name2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CNC(=O)Cc2ccccc2Br)cc1Cl
InChIInChI=1S/C17H16BrClN2O2/c1-11-6-7-13(9-15(11)19)21-17(23)10-20-16(22)8-12-4-2-3-5-14(12)18/h2-7,9H,8,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyIGZJZHMKCYXCDY-UHFFFAOYSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 112998184
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000611
1-[2-(2-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 108900450
2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997204
N-(3-chloro-4-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 60615922
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998357
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112998163
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide
CID 47205683
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113001362
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8964028
N-(3-chloro-4-methylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384920

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide (CID 112998185) is 2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide is Cc1ccc(NC(=O)CNC(=O)Cc2ccccc2Br)cc1Cl.
What is the InChIKey of 2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is IGZJZHMKCYXCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c1-11-6-7-13(9-15(11)19)21-17(23)10-20-16(22)8-12-4-2-3-5-14(12)18/h2-7,9H,8,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide?
2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 395.68 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 112998185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).