3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide

C14H12ClFN2O2 — CID 115930471

IUPAC3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
SMILESCOc1cc(F)ccc1NC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C14H12ClFN2O2/c1-20-12-7-8(16)5-6-11(12)18-14(19)9-3-2-4-10(17)13(9)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyBGJVUZZGPVZDLP-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.32
Rot. Bonds3

About 3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide

3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide (PubChem CID 115930471) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
PubChem CID115930471
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
SMILESCOc1cc(F)ccc1NC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C14H12ClFN2O2/c1-20-12-7-8(16)5-6-11(12)18-14(19)9-3-2-4-10(17)13(9)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyBGJVUZZGPVZDLP-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

2-amino-4-fluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63110567
N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114344130
3-amino-2-chloro-N-(2-fluoro-5-methoxyphenyl)benzamide
CID 115930606
2-amino-N-(4-fluoro-2-methoxyphenyl)-4-methoxybenzamide
CID 115413055
3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 112574577
3-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32608919
2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 62060818
2-amino-N-(2,4-difluorophenyl)-6-methoxybenzamide
CID 81410622
N-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide
CID 33283391
2-bromo-4-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 103763825
2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide
CID 114918264
3-amino-2-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 112575791

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide (CID 115930471) is 3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide is COc1cc(F)ccc1NC(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide?
The InChIKey is BGJVUZZGPVZDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-20-12-7-8(16)5-6-11(12)18-14(19)9-3-2-4-10(17)13(9)15/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide?
3-amino-2-chloro-N-(4-fluoro-2-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 3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide is sourced from PubChem (CID 115930471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).