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

C16H13BrCl2N2O2 — CID 24599976

IUPACN-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
SMILESCc1cc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)ccc1Br
InChIInChI=1S/C16H13BrCl2N2O2/c1-9-6-11(3-5-13(9)17)21-15(22)8-20-16(23)12-4-2-10(18)7-14(12)19/h2-7H,8H2,1H3,(H,20,23)(H,21,22)
InChIKeyNSTSFDQIFFKJTE-UHFFFAOYSA-N
MW416.10 g/mol
LogP4.43
Rot. Bonds4

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

N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide (PubChem CID 24599976) has the molecular formula C16H13BrCl2N2O2 and a molecular weight of 416.10 g/mol. Its IUPAC name is N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
PubChem CID24599976
Molecular FormulaC16H13BrCl2N2O2
Molecular Weight416.10 g/mol
Exact Mass413.95
IUPAC NameN-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
SMILESCc1cc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)ccc1Br
InChIInChI=1S/C16H13BrCl2N2O2/c1-9-6-11(3-5-13(9)17)21-15(22)8-20-16(23)12-4-2-10(18)7-14(12)19/h2-7H,8H2,1H3,(H,20,23)(H,21,22)
InChIKeyNSTSFDQIFFKJTE-UHFFFAOYSA-N
XLogP4.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.10
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 9165169
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 9413593
N-(4-bromo-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7959233
2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 2457198
2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide
CID 55959694
2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide
CID 113221431
2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide
CID 4796634
2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
CID 18891735
2,4-dichloro-N-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]anilino]-2-oxoethyl]benzamide
CID 108765876
2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 17492032
N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038475
2,4-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
CID 9342302

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide (CID 24599976) is N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide is Cc1cc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)ccc1Br.
What is the InChIKey of N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide?
The InChIKey is NSTSFDQIFFKJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2N2O2/c1-9-6-11(3-5-13(9)17)21-15(22)8-20-16(23)12-4-2-10(18)7-14(12)19/h2-7H,8H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide?
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide has a molecular weight of 416.10 g/mol, XLogP of 4.43, 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]-2,4-dichlorobenzamide is sourced from PubChem (CID 24599976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).