N-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide

C15H11ClFN3O — CID 51183160

IUPACN-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide
SMILESN#Cc1cccc(NCC(=O)Nc2cc(Cl)ccc2F)c1
InChIInChI=1S/C15H11ClFN3O/c16-11-4-5-13(17)14(7-11)20-15(21)9-19-12-3-1-2-10(6-12)8-18/h1-7,19H,9H2,(H,20,21)
InChIKeyUQLRKBQPIHLXJV-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.40
Rot. Bonds4

About N-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide

N-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide (PubChem CID 51183160) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide
PubChem CID51183160
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide
SMILESN#Cc1cccc(NCC(=O)Nc2cc(Cl)ccc2F)c1
InChIInChI=1S/C15H11ClFN3O/c16-11-4-5-13(17)14(7-11)20-15(21)9-19-12-3-1-2-10(6-12)8-18/h1-7,19H,9H2,(H,20,21)
InChIKeyUQLRKBQPIHLXJV-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

N-(5-chloro-2-fluorophenyl)-2-(4-cyanoanilino)acetamide
CID 51183099
3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042647
2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9101406
N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100025
N-(5-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide
CID 17419612
N-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide
CID 26438582
N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011066
2-(2-chloro-4-fluoroanilino)-N-(3-cyanophenyl)acetamide
CID 9099516
3-(5-chloro-2-fluoroanilino)benzonitrile
CID 102815357
N-(3-cyanophenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100932
2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
CID 26438593
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-cyanoanilino)acetamide
CID 109011133

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide (CID 51183160) is N-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide is N#Cc1cccc(NCC(=O)Nc2cc(Cl)ccc2F)c1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide?
The InChIKey is UQLRKBQPIHLXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c16-11-4-5-13(17)14(7-11)20-15(21)9-19-12-3-1-2-10(6-12)8-18/h1-7,19H,9H2,(H,20,21).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide?
N-(5-chloro-2-fluorophenyl)-2-(3-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-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide is sourced from PubChem (CID 51183160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).