3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide

C14H12ClFN2O — CID 112575829

IUPAC3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(N)c1Cl)c1cccc(F)c1
InChIInChI=1S/C14H12ClFN2O/c1-18(10-5-2-4-9(16)8-10)14(19)11-6-3-7-12(17)13(11)15/h2-8H,17H2,1H3
InChIKeyXIGPTEOVHYSMPJ-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.34
Rot. Bonds2

About 3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide

3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide (PubChem CID 112575829) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide
PubChem CID112575829
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(N)c1Cl)c1cccc(F)c1
InChIInChI=1S/C14H12ClFN2O/c1-18(10-5-2-4-9(16)8-10)14(19)11-6-3-7-12(17)13(11)15/h2-8H,17H2,1H3
InChIKeyXIGPTEOVHYSMPJ-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-chloro-N-methyl-N-phenylbenzamide
CID 112574015
2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide
CID 107075081
2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide
CID 79722420
2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide
CID 114037685
N-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 61297313
2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide
CID 115703339
2-amino-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733131
N-(3-aminophenyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107013206
N-(3-carbamothioylphenyl)-2-chloro-3-fluoro-N-methylbenzamide
CID 81453831
3-amino-2-(3-fluoro-N-methylanilino)benzoic acid
CID 112578745
3-amino-2-chloro-N-ethyl-N-methylbenzamide
CID 112574683
2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide
CID 81003545

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide?
The IUPAC name of 3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide (CID 112575829) is 3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for 3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide is CN(C(=O)c1cccc(N)c1Cl)c1cccc(F)c1.
What is the InChIKey of 3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide?
The InChIKey is XIGPTEOVHYSMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-18(10-5-2-4-9(16)8-10)14(19)11-6-3-7-12(17)13(11)15/h2-8H,17H2,1H3.
What are the key properties of 3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide?
3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide has a molecular weight of 278.71 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 112575829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).