5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide

C14H11Cl2FN2O — CID 107183203

IUPAC5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C14H11Cl2FN2O/c15-11-6-9(18)5-10(13(11)16)14(20)19-7-8-3-1-2-4-12(8)17/h1-6H,7,18H2,(H,19,20)
InChIKeyUFUIKNPSGRYARP-UHFFFAOYSA-N
MW313.16 g/mol
LogP3.64
Rot. Bonds3

About 5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide

5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 107183203) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID107183203
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C14H11Cl2FN2O/c15-11-6-9(18)5-10(13(11)16)14(20)19-7-8-3-1-2-4-12(8)17/h1-6H,7,18H2,(H,19,20)
InChIKeyUFUIKNPSGRYARP-UHFFFAOYSA-N
XLogP3.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 53.64
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-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
(2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate
CID 103720382
5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62248139
5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229457
5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
CID 60904088
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide
CID 82771924
5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide
CID 107183805
5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide
CID 107183451
2-chloro-N-[(2-fluorophenyl)methyl]-5-nitrobenzamide
CID 4794287
6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 55043681
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide (CID 107183203) is 5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide is Nc1cc(Cl)c(Cl)c(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is UFUIKNPSGRYARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c15-11-6-9(18)5-10(13(11)16)14(20)19-7-8-3-1-2-4-12(8)17/h1-6H,7,18H2,(H,19,20).
What are the key properties of 5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide?
5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 313.16 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 107183203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).