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

C14H11Cl2FN2O — CID 82795367

IUPAC4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide
SMILESNc1c(Cl)cc(C(=O)NCc2cccc(F)c2)cc1Cl
InChIInChI=1S/C14H11Cl2FN2O/c15-11-5-9(6-12(16)13(11)18)14(20)19-7-8-2-1-3-10(17)4-8/h1-6H,7,18H2,(H,19,20)
InChIKeyAYHBRJRVOUEBDI-UHFFFAOYSA-N
MW313.16 g/mol
LogP3.64
Rot. Bonds3

About 4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide

4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide (PubChem CID 82795367) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide
PubChem CID82795367
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide
SMILESNc1c(Cl)cc(C(=O)NCc2cccc(F)c2)cc1Cl
InChIInChI=1S/C14H11Cl2FN2O/c15-11-5-9(6-12(16)13(11)18)14(20)19-7-8-2-1-3-10(17)4-8/h1-6H,7,18H2,(H,19,20)
InChIKeyAYHBRJRVOUEBDI-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

4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 82793892
1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone
CID 116609736
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 24903422
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080
2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 127502749
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 52570640
5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 163301064
N-[(3-aminophenyl)methyl]-3,5-dichlorobenzamide
CID 62499613
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide (CID 82795367) is 4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide is Nc1c(Cl)cc(C(=O)NCc2cccc(F)c2)cc1Cl.
What is the InChIKey of 4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is AYHBRJRVOUEBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c15-11-5-9(6-12(16)13(11)18)14(20)19-7-8-2-1-3-10(17)4-8/h1-6H,7,18H2,(H,19,20).
What are the key properties of 4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide?
4-amino-3,5-dichloro-N-[(3-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 4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 82795367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).