3-amino-2-(2-cyano-4-fluoroanilino)benzamide

C14H11FN4O — CID 115935439

IUPAC3-amino-2-(2-cyano-4-fluoroanilino)benzamide
SMILESN#Cc1cc(F)ccc1Nc1c(N)cccc1C(N)=O
InChIInChI=1S/C14H11FN4O/c15-9-4-5-12(8(6-9)7-16)19-13-10(14(18)20)2-1-3-11(13)17/h1-6,19H,17H2,(H2,18,20)
InChIKeyZFHCQTPNXQOUKC-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.12
Rot. Bonds3

About 3-amino-2-(2-cyano-4-fluoroanilino)benzamide

3-amino-2-(2-cyano-4-fluoroanilino)benzamide (PubChem CID 115935439) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 3-amino-2-(2-cyano-4-fluoroanilino)benzamide.

Molecular Properties

Compound Name3-amino-2-(2-cyano-4-fluoroanilino)benzamide
PubChem CID115935439
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name3-amino-2-(2-cyano-4-fluoroanilino)benzamide
SMILESN#Cc1cc(F)ccc1Nc1c(N)cccc1C(N)=O
InChIInChI=1S/C14H11FN4O/c15-9-4-5-12(8(6-9)7-16)19-13-10(14(18)20)2-1-3-11(13)17/h1-6,19H,17H2,(H2,18,20)
InChIKeyZFHCQTPNXQOUKC-UHFFFAOYSA-N
XLogP2.12
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(2-cyano-4-fluoroanilino)benzamide
CID 82684668
3-amino-2-(3-fluoroanilino)benzamide
CID 112577784
5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide
CID 82012776
2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407
3-amino-2-(2,3-difluoroanilino)benzamide
CID 112578278
3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide
CID 107645811
5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile
CID 107644805
3-amino-2-(2-chloro-4-iodoanilino)benzamide
CID 107607634
N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 82682867
3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid
CID 82685237
2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
3-amino-2-(naphthalen-1-ylamino)benzamide
CID 115933816

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-cyano-4-fluoroanilino)benzamide?
The IUPAC name of 3-amino-2-(2-cyano-4-fluoroanilino)benzamide (CID 115935439) is 3-amino-2-(2-cyano-4-fluoroanilino)benzamide.
What is the SMILES notation for 3-amino-2-(2-cyano-4-fluoroanilino)benzamide?
The canonical SMILES for 3-amino-2-(2-cyano-4-fluoroanilino)benzamide is N#Cc1cc(F)ccc1Nc1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-(2-cyano-4-fluoroanilino)benzamide?
The InChIKey is ZFHCQTPNXQOUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-9-4-5-12(8(6-9)7-16)19-13-10(14(18)20)2-1-3-11(13)17/h1-6,19H,17H2,(H2,18,20).
What are the key properties of 3-amino-2-(2-cyano-4-fluoroanilino)benzamide?
3-amino-2-(2-cyano-4-fluoroanilino)benzamide has a molecular weight of 270.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-cyano-4-fluoroanilino)benzamide is sourced from PubChem (CID 115935439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).