2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide

C15H11Cl3N2O2 — CID 9411490

IUPAC2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl3N2O2/c16-11-4-2-1-3-10(11)15(22)19-8-14(21)20-9-5-6-12(17)13(18)7-9/h1-7H,8H2,(H,19,22)(H,20,21)
InChIKeyBNSMEFHYNIFQPJ-UHFFFAOYSA-N
MW357.62 g/mol
LogP4.02
Rot. Bonds4

About 2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide

2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide (PubChem CID 9411490) has the molecular formula C15H11Cl3N2O2 and a molecular weight of 357.62 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide
PubChem CID9411490
Molecular FormulaC15H11Cl3N2O2
Molecular Weight357.62 g/mol
Exact Mass355.99
IUPAC Name2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl3N2O2/c16-11-4-2-1-3-10(11)15(22)19-8-14(21)20-9-5-6-12(17)13(18)7-9/h1-7H,8H2,(H,19,22)(H,20,21)
InChIKeyBNSMEFHYNIFQPJ-UHFFFAOYSA-N
XLogP4.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.62
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
CID 18891735
[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid
CID 71381636
2-chloro-N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]benzamide
CID 26954210
N-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-methylbenzamide
CID 55347351
2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 38107413
2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide
CID 7973820
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411502
2-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide
CID 9405069
2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 24615496
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide
CID 9165970
N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide
CID 51120300
2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide
CID 4796634

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide (CID 9411490) is 2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Cl)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide?
The InChIKey is BNSMEFHYNIFQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2O2/c16-11-4-2-1-3-10(11)15(22)19-8-14(21)20-9-5-6-12(17)13(18)7-9/h1-7H,8H2,(H,19,22)(H,20,21).
What are the key properties of 2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide?
2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide has a molecular weight of 357.62 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9411490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).