4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide

C14H12ClFN2O2 — CID 114836867

IUPAC4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(N)c(Cl)c2)ccc1F
InChIInChI=1S/C14H12ClFN2O2/c1-20-13-7-9(3-4-11(13)16)18-14(19)8-2-5-12(17)10(15)6-8/h2-7H,17H2,1H3,(H,18,19)
InChIKeyMQITVRKCUXDUHH-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.32
Rot. Bonds3

About 4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide

4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide (PubChem CID 114836867) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide
PubChem CID114836867
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(N)c(Cl)c2)ccc1F
InChIInChI=1S/C14H12ClFN2O2/c1-20-13-7-9(3-4-11(13)16)18-14(19)8-2-5-12(17)10(15)6-8/h2-7H,17H2,1H3,(H,18,19)
InChIKeyMQITVRKCUXDUHH-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

N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283716
3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 39395082
N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 103824600
3-amino-N-(4-chloro-3-fluorophenyl)-4-methoxybenzamide
CID 61466446
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzamide
CID 114840048
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide
CID 114840722
3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836836
N-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283939
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 63188030
4-amino-N-(3-fluoro-4-methoxyphenyl)-3-hydroxybenzamide
CID 107074051

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide?
The IUPAC name of 4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide (CID 114836867) is 4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide?
The canonical SMILES for 4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide is COc1cc(NC(=O)c2ccc(N)c(Cl)c2)ccc1F.
What is the InChIKey of 4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide?
The InChIKey is MQITVRKCUXDUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-20-13-7-9(3-4-11(13)16)18-14(19)8-2-5-12(17)10(15)6-8/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide?
4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide 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 4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide is sourced from PubChem (CID 114836867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).