N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide

C15H11ClFN3O — CID 109008740

IUPACN-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide
SMILESN#Cc1ccccc1NCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11ClFN3O/c16-12-7-11(5-6-13(12)17)20-15(21)9-19-14-4-2-1-3-10(14)8-18/h1-7,19H,9H2,(H,20,21)
InChIKeyAXLHCTBMGBDPDB-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.40
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide

N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide (PubChem CID 109008740) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide
PubChem CID109008740
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide
SMILESN#Cc1ccccc1NCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11ClFN3O/c16-12-7-11(5-6-13(12)17)20-15(21)9-19-14-4-2-1-3-10(14)8-18/h1-7,19H,9H2,(H,20,21)
InChIKeyAXLHCTBMGBDPDB-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

3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide
CID 109038857
N-(3-chloro-4-fluorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54815845
N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969217
N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823258
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105823
methyl 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 37471922
2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide
CID 9099605
N-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetamide
CID 9099109
2-anilino-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316865
N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide
CID 30716981
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 2532266
N-(1,3-benzodioxol-5-yl)-2-(2-cyanoanilino)acetamide
CID 109010915

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide (CID 109008740) is N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide is N#Cc1ccccc1NCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide?
The InChIKey is AXLHCTBMGBDPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c16-12-7-11(5-6-13(12)17)20-15(21)9-19-14-4-2-1-3-10(14)8-18/h1-7,19H,9H2,(H,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)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 N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide is sourced from PubChem (CID 109008740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).