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

C15H13ClFNO3 — CID 835624

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

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

N-(5-chloro-2,4-dimethoxyphenyl)-3-fluorobenzamide (PubChem CID 835624) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-3-fluorobenzamide
PubChem CID835624
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-3-fluorobenzamide
SMILESCOc1cc(OC)c(NC(=O)c2cccc(F)c2)cc1Cl
InChIInChI=1S/C15H13ClFNO3/c1-20-13-8-14(21-2)12(7-11(13)16)18-15(19)9-4-3-5-10(17)6-9/h3-8H,1-2H3,(H,18,19)
InChIKeyJHGMAYXKRLZEAR-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 710605
N-(5-Chloro-2-methoxyphenyl)-2-methylbenzamide
CID 576984
N-(5-Chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
N-(5-chloro-2,4-dimethoxyphenyl)-2-phenylbutanamide
CID 2922753
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
3-Chloro-2'-methoxybenzanilide
CID 722377
4-(5-Chloro-2,4-dimethoxyanilino)naphthalene-1,2-dione
CID 671256
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methylphenoxy)acetamide
CID 836312
N-(3-chloro-4-methoxyphenyl)-3-(difluoromethoxy)benzamide
CID 843446
N-(3-chloro-4-methoxyphenyl)-3-fluorobenzamide
CID 877308
N-(5-chloro-2-phenoxyphenyl)-4-fluorobenzamide
CID 967177
2-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2081745

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-fluorobenzamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-fluorobenzamide (CID 835624) is N-(5-chloro-2,4-dimethoxyphenyl)-3-fluorobenzamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-3-fluorobenzamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-3-fluorobenzamide is COc1cc(OC)c(NC(=O)c2cccc(F)c2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-3-fluorobenzamide?
The InChIKey is JHGMAYXKRLZEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c1-20-13-8-14(21-2)12(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-(5-chloro-2,4-dimethoxyphenyl)-3-fluorobenzamide?
N-(5-chloro-2,4-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-(5-chloro-2,4-dimethoxyphenyl)-3-fluorobenzamide is sourced from PubChem (CID 835624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).