2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide

C21H17ClFN3O2 — CID 9105823

IUPAC2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
SMILESO=C(CNc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C21H17ClFN3O2/c22-17-12-15(10-11-18(17)23)25-20(27)13-24-19-9-5-4-8-16(19)21(28)26-14-6-2-1-3-7-14/h1-12,24H,13H2,(H,25,27)(H,26,28)
InChIKeyWWUGYZFKHGWLTN-UHFFFAOYSA-N
MW397.84 g/mol
LogP4.78
Rot. Bonds6

About 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide

2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide (PubChem CID 9105823) has the molecular formula C21H17ClFN3O2 and a molecular weight of 397.84 g/mol. Its IUPAC name is 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
PubChem CID9105823
Molecular FormulaC21H17ClFN3O2
Molecular Weight397.84 g/mol
Exact Mass397.10
IUPAC Name2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
SMILESO=C(CNc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C21H17ClFN3O2/c22-17-12-15(10-11-18(17)23)25-20(27)13-24-19-9-5-4-8-16(19)21(28)26-14-6-2-1-3-7-14/h1-12,24H,13H2,(H,25,27)(H,26,28)
InChIKeyWWUGYZFKHGWLTN-UHFFFAOYSA-N
XLogP4.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 37471922
3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 52703647
2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide
CID 18228642
N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 18205586
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
CID 9104019
N-(3-chloro-4-fluorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54815845
N-(1,3-benzodioxol-5-yl)-2-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]benzamide
CID 4785291
N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide
CID 109008740
N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 9084498
2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 16553153
N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823258
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide (CID 9105823) is 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide is O=C(CNc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
The InChIKey is WWUGYZFKHGWLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O2/c22-17-12-15(10-11-18(17)23)25-20(27)13-24-19-9-5-4-8-16(19)21(28)26-14-6-2-1-3-7-14/h1-12,24H,13H2,(H,25,27)(H,26,28).
What are the key properties of 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide has a molecular weight of 397.84 g/mol, XLogP of 4.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 9105823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).