N-(3-cyanophenyl)-2-(3,4-dichloroanilino)-2-phenylacetamide

C21H15Cl2N3O — CID 121264147

IUPACN-(3-cyanophenyl)-2-(3,4-dichloroanilino)-2-phenylacetamide
SMILESN#Cc1cccc(NC(=O)C(Nc2ccc(Cl)c(Cl)c2)c2ccccc2)c1
InChIInChI=1S/C21H15Cl2N3O/c22-18-10-9-17(12-19(18)23)25-20(15-6-2-1-3-7-15)21(27)26-16-8-4-5-14(11-16)13-24/h1-12,20,25H,(H,26,27)
InChIKeyZJADNDDCJGDNTJ-UHFFFAOYSA-N
MW396.28 g/mol
LogP5.66
Rot. Bonds5

About N-(3-cyanophenyl)-2-(3,4-dichloroanilino)-2-phenylacetamide

N-(3-cyanophenyl)-2-(3,4-dichloroanilino)-2-phenylacetamide (PubChem CID 121264147) has the molecular formula C21H15Cl2N3O and a molecular weight of 396.28 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(3,4-dichloroanilino)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(3,4-dichloroanilino)-2-phenylacetamide
PubChem CID121264147
Molecular FormulaC21H15Cl2N3O
Molecular Weight396.28 g/mol
Exact Mass395.06
IUPAC NameN-(3-cyanophenyl)-2-(3,4-dichloroanilino)-2-phenylacetamide
SMILESN#Cc1cccc(NC(=O)C(Nc2ccc(Cl)c(Cl)c2)c2ccccc2)c1
InChIInChI=1S/C21H15Cl2N3O/c22-18-10-9-17(12-19(18)23)25-20(15-6-2-1-3-7-15)21(27)26-16-8-4-5-14(11-16)13-24/h1-12,20,25H,(H,26,27)
InChIKeyZJADNDDCJGDNTJ-UHFFFAOYSA-N
XLogP5.66
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.28
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide
CID 7509535
2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 4879709
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
CID 7864748
1-(3-cyanophenyl)-3-[4-(1-phenylethylamino)phenyl]urea
CID 60563611
3-[1-(3,4-dichlorophenyl)ethylamino]benzonitrile
CID 43106768
1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea
CID 64789061
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 7749943
N-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 16529582
6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 62156588
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
2-(4-cyanoanilino)-2-phenylacetic acid
CID 22039129

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(3,4-dichloroanilino)-2-phenylacetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(3,4-dichloroanilino)-2-phenylacetamide (CID 121264147) is N-(3-cyanophenyl)-2-(3,4-dichloroanilino)-2-phenylacetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(3,4-dichloroanilino)-2-phenylacetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(3,4-dichloroanilino)-2-phenylacetamide is N#Cc1cccc(NC(=O)C(Nc2ccc(Cl)c(Cl)c2)c2ccccc2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(3,4-dichloroanilino)-2-phenylacetamide?
The InChIKey is ZJADNDDCJGDNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O/c22-18-10-9-17(12-19(18)23)25-20(15-6-2-1-3-7-15)21(27)26-16-8-4-5-14(11-16)13-24/h1-12,20,25H,(H,26,27).
What are the key properties of N-(3-cyanophenyl)-2-(3,4-dichloroanilino)-2-phenylacetamide?
N-(3-cyanophenyl)-2-(3,4-dichloroanilino)-2-phenylacetamide has a molecular weight of 396.28 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(3,4-dichloroanilino)-2-phenylacetamide is sourced from PubChem (CID 121264147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).