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

C15H13ClFNO3 — CID 836294

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
SMILESCOc1cc(OC)c(NC(=O)c2ccccc2F)cc1Cl
InChIInChI=1S/C15H13ClFNO3/c1-20-13-8-14(21-2)12(7-10(13)16)18-15(19)9-5-3-4-6-11(9)17/h3-8H,1-2H3,(H,18,19)
InChIKeyNAXFPDGMQYPBDX-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.75
Rot. Bonds4

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

N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide (PubChem CID 836294) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
PubChem CID836294
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
SMILESCOc1cc(OC)c(NC(=O)c2ccccc2F)cc1Cl
InChIInChI=1S/C15H13ClFNO3/c1-20-13-8-14(21-2)12(7-10(13)16)18-15(19)9-5-3-4-6-11(9)17/h3-8H,1-2H3,(H,18,19)
InChIKeyNAXFPDGMQYPBDX-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

N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl-sulfanylamino]-2,5-dimethoxyphenyl]-2-fluorobenzamide
CID 57279419
N-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide
CID 17422602
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-difluorobenzamide
CID 7924034
N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 823910
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-3-cyanophenyl]-2-fluorobenzamide
CID 15955435
N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 8011799
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide
CID 1249675
N-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2-fluorobenzamide
CID 18904059
N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide
CID 2086520

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide (CID 836294) is N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide is COc1cc(OC)c(NC(=O)c2ccccc2F)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide?
The InChIKey is NAXFPDGMQYPBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c1-20-13-8-14(21-2)12(7-10(13)16)18-15(19)9-5-3-4-6-11(9)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-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)-2-fluorobenzamide is sourced from PubChem (CID 836294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).