5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide

C15H15ClFN3O — CID 107195031

IUPAC5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide
SMILESCC(Nc1c(Cl)cc(N)cc1C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C15H15ClFN3O/c1-8(9-2-4-10(17)5-3-9)20-14-12(15(19)21)6-11(18)7-13(14)16/h2-8,20H,18H2,1H3,(H2,19,21)
InChIKeyIIJPFHKYRVXWDA-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.33
Rot. Bonds4

About 5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide

5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide (PubChem CID 107195031) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide
PubChem CID107195031
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide
SMILESCC(Nc1c(Cl)cc(N)cc1C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C15H15ClFN3O/c1-8(9-2-4-10(17)5-3-9)20-14-12(15(19)21)6-11(18)7-13(14)16/h2-8,20H,18H2,1H3,(H2,19,21)
InChIKeyIIJPFHKYRVXWDA-UHFFFAOYSA-N
XLogP3.33
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.33
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

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CID 107194018
5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide
CID 107195073
5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide
CID 107192270
5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide
CID 107194825
5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide
CID 107193351
5-amino-3-chloro-2-(4-ethylsulfanylbutan-2-ylamino)benzamide
CID 107196840
5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide
CID 107196988
5-amino-3-chloro-2-(1-pyridin-3-ylethylamino)benzoic acid
CID 107193997
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43088282
[4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea
CID 43774024
5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide
CID 107195013

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide (CID 107195031) is 5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide is CC(Nc1c(Cl)cc(N)cc1C(N)=O)c1ccc(F)cc1.
What is the InChIKey of 5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide?
The InChIKey is IIJPFHKYRVXWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-8(9-2-4-10(17)5-3-9)20-14-12(15(19)21)6-11(18)7-13(14)16/h2-8,20H,18H2,1H3,(H2,19,21).
What are the key properties of 5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide?
5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide has a molecular weight of 307.76 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide is sourced from PubChem (CID 107195031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).