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

C15H12ClF2NO3 — CID 17422602

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide
SMILESCOc1cc(OC)c(NC(=O)c2cc(F)ccc2F)cc1Cl
InChIInChI=1S/C15H12ClF2NO3/c1-21-13-7-14(22-2)12(6-10(13)16)19-15(20)9-5-8(17)3-4-11(9)18/h3-7H,1-2H3,(H,19,20)
InChIKeyBFXWEKDHEOAQHN-UHFFFAOYSA-N
MW327.71 g/mol
LogP3.89
Rot. Bonds4

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

N-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide (PubChem CID 17422602) has the molecular formula C15H12ClF2NO3 and a molecular weight of 327.71 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide
PubChem CID17422602
Molecular FormulaC15H12ClF2NO3
Molecular Weight327.71 g/mol
Exact Mass327.05
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide
SMILESCOc1cc(OC)c(NC(=O)c2cc(F)ccc2F)cc1Cl
InChIInChI=1S/C15H12ClF2NO3/c1-21-13-7-14(22-2)12(6-10(13)16)19-15(20)9-5-8(17)3-4-11(9)18/h3-7H,1-2H3,(H,19,20)
InChIKeyBFXWEKDHEOAQHN-UHFFFAOYSA-N
XLogP3.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.71
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2,4-difluorobenzamide
CID 7924034
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]-2,5-difluorobenzamide
CID 15954730
N-(2-chloro-4,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 18139978
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286
N-(5-bromo-2-methoxyphenyl)-2,5-difluorobenzamide
CID 61074380
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108532288
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 35864833
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide
CID 925288
2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide
CID 9191956
2-bromo-4-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 103763825

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide (CID 17422602) is N-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide is COc1cc(OC)c(NC(=O)c2cc(F)ccc2F)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide?
The InChIKey is BFXWEKDHEOAQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO3/c1-21-13-7-14(22-2)12(6-10(13)16)19-15(20)9-5-8(17)3-4-11(9)18/h3-7H,1-2H3,(H,19,20).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide has a molecular weight of 327.71 g/mol, XLogP of 3.89, 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)-2,5-difluorobenzamide is sourced from PubChem (CID 17422602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).