2-amino-5-(2-chloro-4-cyanoanilino)-4-fluorobenzamide

C14H10ClFN4O — CID 107809746

IUPAC2-amino-5-(2-chloro-4-cyanoanilino)-4-fluorobenzamide
SMILESN#Cc1ccc(Nc2cc(C(N)=O)c(N)cc2F)c(Cl)c1
InChIInChI=1S/C14H10ClFN4O/c15-9-3-7(6-17)1-2-12(9)20-13-4-8(14(19)21)11(18)5-10(13)16/h1-5,20H,18H2,(H2,19,21)
InChIKeyYBDMJOKFNOAVCL-UHFFFAOYSA-N
MW304.71 g/mol
LogP2.78
Rot. Bonds3

About 2-amino-5-(2-chloro-4-cyanoanilino)-4-fluorobenzamide

2-amino-5-(2-chloro-4-cyanoanilino)-4-fluorobenzamide (PubChem CID 107809746) has the molecular formula C14H10ClFN4O and a molecular weight of 304.71 g/mol. Its IUPAC name is 2-amino-5-(2-chloro-4-cyanoanilino)-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-5-(2-chloro-4-cyanoanilino)-4-fluorobenzamide
PubChem CID107809746
Molecular FormulaC14H10ClFN4O
Molecular Weight304.71 g/mol
Exact Mass304.05
IUPAC Name2-amino-5-(2-chloro-4-cyanoanilino)-4-fluorobenzamide
SMILESN#Cc1ccc(Nc2cc(C(N)=O)c(N)cc2F)c(Cl)c1
InChIInChI=1S/C14H10ClFN4O/c15-9-3-7(6-17)1-2-12(9)20-13-4-8(14(19)21)11(18)5-10(13)16/h1-5,20H,18H2,(H2,19,21)
InChIKeyYBDMJOKFNOAVCL-UHFFFAOYSA-N
XLogP2.78
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 52.78
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

5-amino-2-(2-chloro-4-cyanoanilino)benzamide
CID 107809740
2-amino-5-(2-bromo-4-cyanoanilino)-4-fluorobenzoic acid
CID 107793023
4-(2-amino-4-fluoroanilino)-3-chlorobenzonitrile
CID 107806975
3-amino-4-(2-chloro-4-cyanoanilino)benzoic acid
CID 107809752
2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 107806873
3-chloro-4-(2-fluoro-4-methylanilino)benzonitrile
CID 63512256
2-amino-5-[4-(cyanomethyl)anilino]-4-fluorobenzamide
CID 62303049
4-(2-amino-5-ethoxy-4-fluoroanilino)-3-chlorobenzonitrile
CID 107807032
methyl 2-amino-5-(2-chloro-4-iodoanilino)-4-fluorobenzoate
CID 107607620
3-chloro-4-[2-fluoro-5-(trifluoromethyl)anilino]benzonitrile
CID 63510677
2-amino-5-[(4-cyanophenyl)methylamino]-4-fluorobenzoic acid
CID 62269481
5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide
CID 107196343

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-chloro-4-cyanoanilino)-4-fluorobenzamide?
The IUPAC name of 2-amino-5-(2-chloro-4-cyanoanilino)-4-fluorobenzamide (CID 107809746) is 2-amino-5-(2-chloro-4-cyanoanilino)-4-fluorobenzamide.
What is the SMILES notation for 2-amino-5-(2-chloro-4-cyanoanilino)-4-fluorobenzamide?
The canonical SMILES for 2-amino-5-(2-chloro-4-cyanoanilino)-4-fluorobenzamide is N#Cc1ccc(Nc2cc(C(N)=O)c(N)cc2F)c(Cl)c1.
What is the InChIKey of 2-amino-5-(2-chloro-4-cyanoanilino)-4-fluorobenzamide?
The InChIKey is YBDMJOKFNOAVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O/c15-9-3-7(6-17)1-2-12(9)20-13-4-8(14(19)21)11(18)5-10(13)16/h1-5,20H,18H2,(H2,19,21).
What are the key properties of 2-amino-5-(2-chloro-4-cyanoanilino)-4-fluorobenzamide?
2-amino-5-(2-chloro-4-cyanoanilino)-4-fluorobenzamide has a molecular weight of 304.71 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-chloro-4-cyanoanilino)-4-fluorobenzamide is sourced from PubChem (CID 107809746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).