3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide

C24H24ClN3O2 — CID 54815218

IUPAC3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NC(=O)CNc2cccc(Cl)c2C)c1)c1ccccc1
InChIInChI=1S/C24H24ClN3O2/c1-3-28(20-11-5-4-6-12-20)24(30)18-9-7-10-19(15-18)27-23(29)16-26-22-14-8-13-21(25)17(22)2/h4-15,26H,3,16H2,1-2H3,(H,27,29)
InChIKeyMPUUHKBCPGPKBF-UHFFFAOYSA-N
MW421.93 g/mol
LogP5.37
Rot. Bonds7

About 3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide

3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide (PubChem CID 54815218) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide
PubChem CID54815218
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NC(=O)CNc2cccc(Cl)c2C)c1)c1ccccc1
InChIInChI=1S/C24H24ClN3O2/c1-3-28(20-11-5-4-6-12-20)24(30)18-9-7-10-19(15-18)27-23(29)16-26-22-14-8-13-21(25)17(22)2/h4-15,26H,3,16H2,1-2H3,(H,27,29)
InChIKeyMPUUHKBCPGPKBF-UHFFFAOYSA-N
XLogP5.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.93
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838651
N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide
CID 54823205
N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833237
N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 54814231
3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54810348
N-ethyl-3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54839058
N-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838962
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54834886
3-[[2-(2,3-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54816099
2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109092335
3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54815217

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide (CID 54815218) is 3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1cccc(NC(=O)CNc2cccc(Cl)c2C)c1)c1ccccc1.
What is the InChIKey of 3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The InChIKey is MPUUHKBCPGPKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c1-3-28(20-11-5-4-6-12-20)24(30)18-9-7-10-19(15-18)27-23(29)16-26-22-14-8-13-21(25)17(22)2/h4-15,26H,3,16H2,1-2H3,(H,27,29).
What are the key properties of 3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide?
3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide has a molecular weight of 421.93 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 54815218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).