4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide

C15H13ClFNO3 — CID 56782948

IUPAC4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide
SMILESCOc1cc(F)c(NC(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C15H13ClFNO3/c1-20-13-7-11(17)12(8-14(13)21-2)18-15(19)9-3-5-10(16)6-4-9/h3-8H,1-2H3,(H,18,19)
InChIKeyYDQMYCNAYDIRTI-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.75
Rot. Bonds4

About 4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide

4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide (PubChem CID 56782948) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is 4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide
PubChem CID56782948
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC Name4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide
SMILESCOc1cc(F)c(NC(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C15H13ClFNO3/c1-20-13-7-11(17)12(8-14(13)21-2)18-15(19)9-3-5-10(16)6-4-9/h3-8H,1-2H3,(H,18,19)
InChIKeyYDQMYCNAYDIRTI-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

3-amino-N-(5-chloro-2-fluorophenyl)-4-methoxybenzamide
CID 43438163
N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide
CID 26690340
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 17428347
4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide
CID 110778514
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 4879673
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
3-[(4-chlorobenzoyl)amino]-4-methoxybenzenesulfonic acid
CID 139946873
2-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)-5-phenylbenzamide
CID 99087184
N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide
CID 78807126

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide?
The IUPAC name of 4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide (CID 56782948) is 4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide is COc1cc(F)c(NC(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide?
The InChIKey is YDQMYCNAYDIRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c1-20-13-7-11(17)12(8-14(13)21-2)18-15(19)9-3-5-10(16)6-4-9/h3-8H,1-2H3,(H,18,19).
What are the key properties of 4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide?
4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide 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 4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide is sourced from PubChem (CID 56782948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).