4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide

C14H12ClFN2O — CID 107363413

IUPAC4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(F)cc(Cl)c2)ccc1N
InChIInChI=1S/C14H12ClFN2O/c1-8-4-9(2-3-13(8)17)14(19)18-12-6-10(15)5-11(16)7-12/h2-7H,17H2,1H3,(H,18,19)
InChIKeyLZTSQTUSTWJTGK-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.62
Rot. Bonds2

About 4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide

4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide (PubChem CID 107363413) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide
PubChem CID107363413
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(F)cc(Cl)c2)ccc1N
InChIInChI=1S/C14H12ClFN2O/c1-8-4-9(2-3-13(8)17)14(19)18-12-6-10(15)5-11(16)7-12/h2-7H,17H2,1H3,(H,18,19)
InChIKeyLZTSQTUSTWJTGK-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.62
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

3-amino-N-(3-chloro-5-fluorophenyl)-4-methoxybenzamide
CID 107363446
4-amino-N-(3-chlorophenyl)-3-methylbenzamide
CID 16785313
3-chloro-N-(3-chloro-5-fluorophenyl)-4-hydroxybenzamide
CID 107366859
2-amino-N-(3-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide
CID 107370448
N-(3-chloro-5-fluorophenyl)-4-nitrobenzamide
CID 135306683
N-(3-chloro-5-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107671680
3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide
CID 107366667
3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide
CID 107873288
N-(3-chloro-5-fluorophenyl)-3-hydroxybenzamide
CID 107366818
N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide
CID 115736624
3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide
CID 79041488
4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide
CID 103774675

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide?
The IUPAC name of 4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide (CID 107363413) is 4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide?
The canonical SMILES for 4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide is Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2)ccc1N.
What is the InChIKey of 4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide?
The InChIKey is LZTSQTUSTWJTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8-4-9(2-3-13(8)17)14(19)18-12-6-10(15)5-11(16)7-12/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide?
4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide has a molecular weight of 278.71 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide is sourced from PubChem (CID 107363413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).