3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide

C13H11ClFN3O — CID 61111533

IUPAC3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide
SMILESNc1cc(N)cc(C(=O)Nc2ccc(Cl)cc2F)c1
InChIInChI=1S/C13H11ClFN3O/c14-8-1-2-12(11(15)5-8)18-13(19)7-3-9(16)6-10(17)4-7/h1-6H,16-17H2,(H,18,19)
InChIKeyZXCQYAZNQTYFJP-UHFFFAOYSA-N
MW279.70 g/mol
LogP2.90
Rot. Bonds2

About 3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide

3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide (PubChem CID 61111533) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide
PubChem CID61111533
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide
SMILESNc1cc(N)cc(C(=O)Nc2ccc(Cl)cc2F)c1
InChIInChI=1S/C13H11ClFN3O/c14-8-1-2-12(11(15)5-8)18-13(19)7-3-9(16)6-10(17)4-7/h1-6H,16-17H2,(H,18,19)
InChIKeyZXCQYAZNQTYFJP-UHFFFAOYSA-N
XLogP2.90
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-chloro-2-fluorophenyl)benzamide
CID 43708013
3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide
CID 61093328
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
N-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide
CID 62241320
N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide
CID 81326271
3-amino-N-(5-chloro-2-fluorophenyl)-5-methoxybenzamide
CID 78985100
3,5-diamino-N-(3-chloro-2-fluorophenyl)benzamide
CID 61093166
5-amino-N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 61112671
3-amino-N-(5-bromo-2,4-difluorophenyl)-5-chlorobenzamide
CID 102852308
N-(4-chloro-2-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762635
2-amino-N-(4-chloro-2-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105385883
N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide
CID 4173118

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide?
The IUPAC name of 3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide (CID 61111533) is 3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide is Nc1cc(N)cc(C(=O)Nc2ccc(Cl)cc2F)c1.
What is the InChIKey of 3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide?
The InChIKey is ZXCQYAZNQTYFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c14-8-1-2-12(11(15)5-8)18-13(19)7-3-9(16)6-10(17)4-7/h1-6H,16-17H2,(H,18,19).
What are the key properties of 3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide?
3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide has a molecular weight of 279.70 g/mol, XLogP of 2.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide is sourced from PubChem (CID 61111533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).