3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide

C15H14ClFN2O — CID 115930156

IUPAC3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
SMILESNc1cccc(C(=O)NCCc2cccc(F)c2)c1Cl
InChIInChI=1S/C15H14ClFN2O/c16-14-12(5-2-6-13(14)18)15(20)19-8-7-10-3-1-4-11(17)9-10/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyHNCTWEIABZIIKQ-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.03
Rot. Bonds4

About 3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide

3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide (PubChem CID 115930156) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
PubChem CID115930156
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
SMILESNc1cccc(C(=O)NCCc2cccc(F)c2)c1Cl
InChIInChI=1S/C15H14ClFN2O/c16-14-12(5-2-6-13(14)18)15(20)19-8-7-10-3-1-4-11(17)9-10/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyHNCTWEIABZIIKQ-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115540075
2,5-dichloro-N-[2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide
CID 78812511
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816
3-chloro-N-[2-(3-fluorophenyl)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62242329
3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide
CID 103989302
3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 112575697
4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81226046
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide
CID 115930472
3-amino-2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106391680

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide (CID 115930156) is 3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide is Nc1cccc(C(=O)NCCc2cccc(F)c2)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide?
The InChIKey is HNCTWEIABZIIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-14-12(5-2-6-13(14)18)15(20)19-8-7-10-3-1-4-11(17)9-10/h1-6,9H,7-8,18H2,(H,19,20).
What are the key properties of 3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide?
3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide has a molecular weight of 292.74 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 115930156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).