N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide

C20H17ClN2O — CID 112987026

IUPACN-[4-(4-chloroanilino)phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H17ClN2O/c21-16-6-8-17(9-7-16)22-18-10-12-19(13-11-18)23-20(24)14-15-4-2-1-3-5-15/h1-13,22H,14H2,(H,23,24)
InChIKeyLGFZBVVTEYFXJE-UHFFFAOYSA-N
MW336.82 g/mol
LogP5.26
Rot. Bonds5

About N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide

N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide (PubChem CID 112987026) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(4-chloroanilino)phenyl]-2-phenylacetamide
PubChem CID112987026
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC NameN-[4-(4-chloroanilino)phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H17ClN2O/c21-16-6-8-17(9-7-16)22-18-10-12-19(13-11-18)23-20(24)14-15-4-2-1-3-5-15/h1-13,22H,14H2,(H,23,24)
InChIKeyLGFZBVVTEYFXJE-UHFFFAOYSA-N
XLogP5.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide
CID 17235520
N-[4-(2,6-difluoroanilino)phenyl]-2-phenylacetamide
CID 112990214
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide
CID 112988673
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130169
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
2-(4-chlorophenyl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 4936631
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 123587423

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide (CID 112987026) is N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide?
The InChIKey is LGFZBVVTEYFXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c21-16-6-8-17(9-7-16)22-18-10-12-19(13-11-18)23-20(24)14-15-4-2-1-3-5-15/h1-13,22H,14H2,(H,23,24).
What are the key properties of N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide?
N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide has a molecular weight of 336.82 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide is sourced from PubChem (CID 112987026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).