2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide

C23H22ClN3O2 — CID 9103465

IUPAC2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
SMILESO=C(CNc1ccccc1C(=O)NCCc1ccccc1)Nc1cccc(Cl)c1
InChIInChI=1S/C23H22ClN3O2/c24-18-9-6-10-19(15-18)27-22(28)16-26-21-12-5-4-11-20(21)23(29)25-14-13-17-7-2-1-3-8-17/h1-12,15,26H,13-14,16H2,(H,25,29)(H,27,28)
InChIKeyXDJXZIKPFXHKFF-UHFFFAOYSA-N
MW407.90 g/mol
LogP4.36
Rot. Bonds8

About 2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide

2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 9103465) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
PubChem CID9103465
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
SMILESO=C(CNc1ccccc1C(=O)NCCc1ccccc1)Nc1cccc(Cl)c1
InChIInChI=1S/C23H22ClN3O2/c24-18-9-6-10-19(15-18)27-22(28)16-26-21-12-5-4-11-20(21)23(29)25-14-13-17-7-2-1-3-8-17/h1-12,15,26H,13-14,16H2,(H,25,29)(H,27,28)
InChIKeyXDJXZIKPFXHKFF-UHFFFAOYSA-N
XLogP4.36
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9103404
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9103398
4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52704581
2-[[2-[4-chloro-2-(4-methylphenyl)sulfonylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 22305239
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
N-(3-chlorophenyl)-2-(2,3-difluoroanilino)acetamide
CID 47336969
2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 33252278
N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828339
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105823
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9329082
2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
CID 26439038

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide (CID 9103465) is 2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide is O=C(CNc1ccccc1C(=O)NCCc1ccccc1)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is XDJXZIKPFXHKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c24-18-9-6-10-19(15-18)27-22(28)16-26-21-12-5-4-11-20(21)23(29)25-14-13-17-7-2-1-3-8-17/h1-12,15,26H,13-14,16H2,(H,25,29)(H,27,28).
What are the key properties of 2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide?
2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 407.90 g/mol, XLogP of 4.36, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 9103465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).