3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide

C22H20ClN3O2 — CID 54810348

IUPAC3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(NC(=O)CNc2ccccc2Cl)c1)c1ccccc1
InChIInChI=1S/C22H20ClN3O2/c1-26(18-10-3-2-4-11-18)22(28)16-8-7-9-17(14-16)25-21(27)15-24-20-13-6-5-12-19(20)23/h2-14,24H,15H2,1H3,(H,25,27)
InChIKeyGTDFIQBGIWXQSI-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.67
Rot. Bonds6

About 3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide

3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide (PubChem CID 54810348) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
PubChem CID54810348
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(NC(=O)CNc2ccccc2Cl)c1)c1ccccc1
InChIInChI=1S/C22H20ClN3O2/c1-26(18-10-3-2-4-11-18)22(28)16-8-7-9-17(14-16)25-21(27)15-24-20-13-6-5-12-19(20)23/h2-14,24H,15H2,1H3,(H,25,27)
InChIKeyGTDFIQBGIWXQSI-UHFFFAOYSA-N
XLogP4.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837432
3-[[2-(2,3-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54816099
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54813421
3-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837359
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54818547
3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837465
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837458
3-[[2-(2-chloroanilino)acetyl]amino]benzamide
CID 54810533
3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815218
N-methyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54826156
3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54820939
N-benzyl-3-[[2-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54816093

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide (CID 54810348) is 3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide is CN(C(=O)c1cccc(NC(=O)CNc2ccccc2Cl)c1)c1ccccc1.
What is the InChIKey of 3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide?
The InChIKey is GTDFIQBGIWXQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-26(18-10-3-2-4-11-18)22(28)16-8-7-9-17(14-16)25-21(27)15-24-20-13-6-5-12-19(20)23/h2-14,24H,15H2,1H3,(H,25,27).
What are the key properties of 3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide?
3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide has a molecular weight of 393.87 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 54810348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).