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

C14H12ClFN2O2 — CID 107363446

IUPAC3-amino-N-(3-chloro-5-fluorophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(F)cc(Cl)c2)cc1N
InChIInChI=1S/C14H12ClFN2O2/c1-20-13-3-2-8(4-12(13)17)14(19)18-11-6-9(15)5-10(16)7-11/h2-7H,17H2,1H3,(H,18,19)
InChIKeySONHHXFHURRSBR-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.32
Rot. Bonds3

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

3-amino-N-(3-chloro-5-fluorophenyl)-4-methoxybenzamide (PubChem CID 107363446) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-5-fluorophenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-5-fluorophenyl)-4-methoxybenzamide
PubChem CID107363446
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name3-amino-N-(3-chloro-5-fluorophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(F)cc(Cl)c2)cc1N
InChIInChI=1S/C14H12ClFN2O2/c1-20-13-3-2-8(4-12(13)17)14(19)18-11-6-9(15)5-10(16)7-11/h2-7H,17H2,1H3,(H,18,19)
InChIKeySONHHXFHURRSBR-UHFFFAOYSA-N
XLogP3.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide
CID 107363413
N-(3,5-dichlorophenyl)-3-fluoro-4-methoxybenzamide
CID 27844181
3-amino-N-(4-chloro-3-fluorophenyl)-4-methoxybenzamide
CID 61466446
3-amino-N-(5-chloro-2-fluorophenyl)-4-methoxybenzamide
CID 43438163
N-(3,5-difluorophenyl)-3,4-dimethoxybenzamide
CID 7336959
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 39395082
3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide
CID 107618351
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814
3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
CID 107587350
3-chloro-N-(3-chloro-5-fluorophenyl)-4-hydroxybenzamide
CID 107366859
3-amino-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 16785828

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-5-fluorophenyl)-4-methoxybenzamide?
The IUPAC name of 3-amino-N-(3-chloro-5-fluorophenyl)-4-methoxybenzamide (CID 107363446) is 3-amino-N-(3-chloro-5-fluorophenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(3-chloro-5-fluorophenyl)-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-(3-chloro-5-fluorophenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(F)cc(Cl)c2)cc1N.
What is the InChIKey of 3-amino-N-(3-chloro-5-fluorophenyl)-4-methoxybenzamide?
The InChIKey is SONHHXFHURRSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-20-13-3-2-8(4-12(13)17)14(19)18-11-6-9(15)5-10(16)7-11/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(3-chloro-5-fluorophenyl)-4-methoxybenzamide?
3-amino-N-(3-chloro-5-fluorophenyl)-4-methoxybenzamide has a molecular weight of 294.71 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-5-fluorophenyl)-4-methoxybenzamide is sourced from PubChem (CID 107363446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).