N-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide

C15H12BrClN2O2 — CID 103480014

IUPACN-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1cccc(Cl)c1Br
InChIInChI=1S/C15H12BrClN2O2/c16-14-11(17)7-4-8-12(14)19-13(20)9-18-15(21)10-5-2-1-3-6-10/h1-8H,9H2,(H,18,21)(H,19,20)
InChIKeyXXSFGEGYTBHOCG-UHFFFAOYSA-N
MW367.63 g/mol
LogP3.47
Rot. Bonds4

About N-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide

N-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide (PubChem CID 103480014) has the molecular formula C15H12BrClN2O2 and a molecular weight of 367.63 g/mol. Its IUPAC name is N-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide
PubChem CID103480014
Molecular FormulaC15H12BrClN2O2
Molecular Weight367.63 g/mol
Exact Mass365.98
IUPAC NameN-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1cccc(Cl)c1Br
InChIInChI=1S/C15H12BrClN2O2/c16-14-11(17)7-4-8-12(14)19-13(20)9-18-15(21)10-5-2-1-3-6-10/h1-8H,9H2,(H,18,21)(H,19,20)
InChIKeyXXSFGEGYTBHOCG-UHFFFAOYSA-N
XLogP3.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.63
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9411308
2-bromo-N-(2-bromo-3-chlorophenyl)acetamide
CID 103478721
N-[2-(2,3-difluoroanilino)-2-oxoethyl]benzamide
CID 155977265
N-[2-[2-(aminomethyl)anilino]-2-oxoethyl]benzamide
CID 64882514
methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
CID 110666935
3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide
CID 103479588
4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733
N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 43520523
N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411325
N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide
CID 103479840
N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide
CID 1104902
5-amino-N-(2-bromo-3-chlorophenyl)pentanamide
CID 103479361

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide (CID 103480014) is N-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)Nc1cccc(Cl)c1Br.
What is the InChIKey of N-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide?
The InChIKey is XXSFGEGYTBHOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O2/c16-14-11(17)7-4-8-12(14)19-13(20)9-18-15(21)10-5-2-1-3-6-10/h1-8H,9H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide?
N-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide has a molecular weight of 367.63 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 103480014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).