N-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide

C14H12ClFN2O2 — CID 81283939

IUPACN-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2c(N)cccc2Cl)ccc1F
InChIInChI=1S/C14H12ClFN2O2/c1-20-12-7-8(5-6-10(12)16)14(19)18-13-9(15)3-2-4-11(13)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyQVPBDHKUDMXXIG-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.32
Rot. Bonds3

About N-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide

N-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide (PubChem CID 81283939) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is N-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide
PubChem CID81283939
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC NameN-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2c(N)cccc2Cl)ccc1F
InChIInChI=1S/C14H12ClFN2O2/c1-20-12-7-8(5-6-10(12)16)14(19)18-13-9(15)3-2-4-11(13)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyQVPBDHKUDMXXIG-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-(2-amino-6-chlorophenyl)-3,4-dimethoxybenzamide
CID 62084435
N-(2-amino-6-chlorophenyl)-4-chloro-2-methoxybenzamide
CID 62085162
N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide
CID 62086045
N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283716
4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836867
N-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide
CID 81284263
N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide
CID 43330049
N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide
CID 103218725
N-(2-amino-6-chlorophenyl)-4-tert-butylbenzamide
CID 62083724
N-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 81315195
N-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide
CID 81314531
N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 103824600

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide (CID 81283939) is N-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)Nc2c(N)cccc2Cl)ccc1F.
What is the InChIKey of N-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide?
The InChIKey is QVPBDHKUDMXXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-20-12-7-8(5-6-10(12)16)14(19)18-13-9(15)3-2-4-11(13)17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide?
N-(2-amino-6-chlorophenyl)-4-fluoro-3-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 N-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 81283939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).