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

C14H12ClFN2O2 — CID 81283716

IUPACN-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Cl)c(N)c2)ccc1F
InChIInChI=1S/C14H12ClFN2O2/c1-20-13-6-8(2-5-11(13)16)14(19)18-9-3-4-10(15)12(17)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeySZLHBKDWWDBBRC-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.32
Rot. Bonds3

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

N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide (PubChem CID 81283716) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide
PubChem CID81283716
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC NameN-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Cl)c(N)c2)ccc1F
InChIInChI=1S/C14H12ClFN2O2/c1-20-13-6-8(2-5-11(13)16)14(19)18-9-3-4-10(15)12(17)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeySZLHBKDWWDBBRC-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-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836867
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
3-amino-N-(4-chloro-3-fluorophenyl)-4-methoxybenzamide
CID 61466446
N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 103824600
N-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283939
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 39395082
N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide
CID 115736624
4-fluoro-N-(4-iodophenyl)-3-methoxybenzamide
CID 80948431
2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide
CID 114840722
N-(3-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
CID 107990051
N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide
CID 114299823

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide (CID 81283716) is N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc(Cl)c(N)c2)ccc1F.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide?
The InChIKey is SZLHBKDWWDBBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-20-13-6-8(2-5-11(13)16)14(19)18-9-3-4-10(15)12(17)7-9/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide?
N-(3-amino-4-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-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 81283716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).