3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide

C23H22ClN3O2 — CID 54838651

IUPAC3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NCC(=O)Nc2ccccc2Cl)c1)c1ccccc1
InChIInChI=1S/C23H22ClN3O2/c1-2-27(19-11-4-3-5-12-19)23(29)17-9-8-10-18(15-17)25-16-22(28)26-21-14-7-6-13-20(21)24/h3-15,25H,2,16H2,1H3,(H,26,28)
InChIKeyNIOUJTXBDRXMAZ-UHFFFAOYSA-N
MW407.90 g/mol
LogP5.06
Rot. Bonds7

About 3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide

3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide (PubChem CID 54838651) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
PubChem CID54838651
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NCC(=O)Nc2ccccc2Cl)c1)c1ccccc1
InChIInChI=1S/C23H22ClN3O2/c1-2-27(19-11-4-3-5-12-19)23(29)17-9-8-10-18(15-17)25-16-22(28)26-21-14-7-6-13-20(21)24/h3-15,25H,2,16H2,1H3,(H,26,28)
InChIKeyNIOUJTXBDRXMAZ-UHFFFAOYSA-N
XLogP5.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815218
N-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838962
3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837432
N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833237
N-ethyl-3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54839058
N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 54814231
N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide
CID 54823205
3-[[2-(dimethylamino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838774
3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54810348
4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838462
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54834886

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide (CID 54838651) is 3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1cccc(NCC(=O)Nc2ccccc2Cl)c1)c1ccccc1.
What is the InChIKey of 3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide?
The InChIKey is NIOUJTXBDRXMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-2-27(19-11-4-3-5-12-19)23(29)17-9-8-10-18(15-17)25-16-22(28)26-21-14-7-6-13-20(21)24/h3-15,25H,2,16H2,1H3,(H,26,28).
What are the key properties of 3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide?
3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide has a molecular weight of 407.90 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 54838651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).