N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide

C15H13ClFNO3 — CID 4060765

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide
SMILESCOc1cc(NC(=O)c2cccc(F)c2)c(OC)cc1Cl
InChIInChI=1S/C15H13ClFNO3/c1-20-13-8-12(14(21-2)7-11(13)16)18-15(19)9-4-3-5-10(17)6-9/h3-8H,1-2H3,(H,18,19)
InChIKeyPYSJSEDXUZURDM-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.75
Rot. Bonds4

About N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide

N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide (PubChem CID 4060765) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide
PubChem CID4060765
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide
SMILESCOc1cc(NC(=O)c2cccc(F)c2)c(OC)cc1Cl
InChIInChI=1S/C15H13ClFNO3/c1-20-13-8-12(14(21-2)7-11(13)16)18-15(19)9-4-3-5-10(17)6-9/h3-8H,1-2H3,(H,18,19)
InChIKeyPYSJSEDXUZURDM-UHFFFAOYSA-N
XLogP3.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 46485057
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286
N-(4-chloro-2,5-dimethoxyphenyl)-3-(methylsulfanylmethyl)benzamide
CID 9162789
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
3-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32608919
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
ethyl 5-chloro-4-[(3-fluorobenzoyl)amino]-2-methoxybenzoate
CID 19229022
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]phenyl]-3-fluorobenzamide
CID 57012982
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-fluorophenyl)propanediamide
CID 108956608
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
CID 55725477
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide (CID 4060765) is N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide is COc1cc(NC(=O)c2cccc(F)c2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide?
The InChIKey is PYSJSEDXUZURDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c1-20-13-8-12(14(21-2)7-11(13)16)18-15(19)9-4-3-5-10(17)6-9/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide has a molecular weight of 309.72 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide is sourced from PubChem (CID 4060765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).