2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide

C15H11ClFN3O — CID 9099605

IUPAC2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CNc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H11ClFN3O/c16-13-7-12(5-6-14(13)17)19-9-15(21)20-11-3-1-10(8-18)2-4-11/h1-7,19H,9H2,(H,20,21)
InChIKeyMDGPNJBZTLYSLZ-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.40
Rot. Bonds4

About 2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide

2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide (PubChem CID 9099605) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide
PubChem CID9099605
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CNc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H11ClFN3O/c16-13-7-12(5-6-14(13)17)19-9-15(21)20-11-3-1-10(8-18)2-4-11/h1-7,19H,9H2,(H,20,21)
InChIKeyMDGPNJBZTLYSLZ-UHFFFAOYSA-N
XLogP3.40
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluoroanilino)-N-[4-(cyanomethyl)phenyl]acetamide
CID 26508347
N-(4-cyanophenyl)-2-(2,5-dichloroanilino)acetamide
CID 26416996
N-(5-chloro-2-fluorophenyl)-2-(4-cyanoanilino)acetamide
CID 51183099
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 9098665
2-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 109008699
N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide
CID 109008740
2-(4-chloro-3-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 47313465
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 9099614
N-(4-chlorophenyl)-2-(3,4-dichloroanilino)acetamide
CID 29294726
2-(3-chloro-4-fluoroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 26437681
N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide
CID 26437475
1-N-(3-chloro-4-fluorophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143222

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide (CID 9099605) is 2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide is N#Cc1ccc(NC(=O)CNc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide?
The InChIKey is MDGPNJBZTLYSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c16-13-7-12(5-6-14(13)17)19-9-15(21)20-11-3-1-10(8-18)2-4-11/h1-7,19H,9H2,(H,20,21).
What are the key properties of 2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide?
2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide has a molecular weight of 303.72 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 9099605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).