N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide

C16H14BrClN2O2 — CID 9165169

IUPACN-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide
SMILESCc1cc(NC(=O)CNC(=O)c2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C16H14BrClN2O2/c1-10-8-13(6-7-14(10)17)20-15(21)9-19-16(22)11-2-4-12(18)5-3-11/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyALEZFGKKLINXED-UHFFFAOYSA-N
MW381.66 g/mol
LogP3.78
Rot. Bonds4

About N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide

N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide (PubChem CID 9165169) has the molecular formula C16H14BrClN2O2 and a molecular weight of 381.66 g/mol. Its IUPAC name is N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide
PubChem CID9165169
Molecular FormulaC16H14BrClN2O2
Molecular Weight381.66 g/mol
Exact Mass379.99
IUPAC NameN-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide
SMILESCc1cc(NC(=O)CNC(=O)c2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C16H14BrClN2O2/c1-10-8-13(6-7-14(10)17)20-15(21)9-19-16(22)11-2-4-12(18)5-3-11/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyALEZFGKKLINXED-UHFFFAOYSA-N
XLogP3.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.66
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 24599976
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
N-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998182
N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 100588730
4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
CID 7930162
4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide
CID 113000124
N-(4-bromo-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7959233
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000611
N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038475
2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 9079994
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46756068
2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide
CID 113221431

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide (CID 9165169) is N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide is Cc1cc(NC(=O)CNC(=O)c2ccc(Cl)cc2)ccc1Br.
What is the InChIKey of N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide?
The InChIKey is ALEZFGKKLINXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O2/c1-10-8-13(6-7-14(10)17)20-15(21)9-19-16(22)11-2-4-12(18)5-3-11/h2-8H,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide?
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide has a molecular weight of 381.66 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide is sourced from PubChem (CID 9165169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).