N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide

C21H17Cl2N3O2 — CID 54839125

IUPACN-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide
SMILESO=C(CNc1cccc(NC(=O)c2ccccc2)c1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C21H17Cl2N3O2/c22-15-9-10-18(23)19(11-15)26-20(27)13-24-16-7-4-8-17(12-16)25-21(28)14-5-2-1-3-6-14/h1-12,24H,13H2,(H,25,28)(H,26,27)
InChIKeyALSKEJHBWLSJHO-UHFFFAOYSA-N
MW414.29 g/mol
LogP5.30
Rot. Bonds6

About N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide

N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide (PubChem CID 54839125) has the molecular formula C21H17Cl2N3O2 and a molecular weight of 414.29 g/mol. Its IUPAC name is N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide
PubChem CID54839125
Molecular FormulaC21H17Cl2N3O2
Molecular Weight414.29 g/mol
Exact Mass413.07
IUPAC NameN-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide
SMILESO=C(CNc1cccc(NC(=O)c2ccccc2)c1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C21H17Cl2N3O2/c22-15-9-10-18(23)19(11-15)26-20(27)13-24-16-7-4-8-17(12-16)25-21(28)14-5-2-1-3-6-14/h1-12,24H,13H2,(H,25,28)(H,26,27)
InChIKeyALSKEJHBWLSJHO-UHFFFAOYSA-N
XLogP5.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.29
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide
CID 54810283
N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54830652
N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide
CID 54816136
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide
CID 54840105
N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839157
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide
CID 54813402
N-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819787
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
N-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)acetamide
CID 54813314
4-chloro-2-[[2-(3-chloroanilino)acetyl]amino]benzoic acid
CID 51051496
5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833038

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide (CID 54839125) is N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide is O=C(CNc1cccc(NC(=O)c2ccccc2)c1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide?
The InChIKey is ALSKEJHBWLSJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O2/c22-15-9-10-18(23)19(11-15)26-20(27)13-24-16-7-4-8-17(12-16)25-21(28)14-5-2-1-3-6-14/h1-12,24H,13H2,(H,25,28)(H,26,27).
What are the key properties of N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide?
N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide has a molecular weight of 414.29 g/mol, XLogP of 5.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide is sourced from PubChem (CID 54839125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).