N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide

C16H14ClF2NO4 — CID 26901544

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1OC
InChIInChI=1S/C16H14ClF2NO4/c1-22-13-5-3-4-10(14(13)23-2)15(21)20-9-6-7-12(11(17)8-9)24-16(18)19/h3-8,16H,1-2H3,(H,20,21)
InChIKeyUTZAGKHCDFZZFP-UHFFFAOYSA-N
MW357.74 g/mol
LogP4.21
Rot. Bonds6

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide (PubChem CID 26901544) has the molecular formula C16H14ClF2NO4 and a molecular weight of 357.74 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide
PubChem CID26901544
Molecular FormulaC16H14ClF2NO4
Molecular Weight357.74 g/mol
Exact Mass357.06
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1OC
InChIInChI=1S/C16H14ClF2NO4/c1-22-13-5-3-4-10(14(13)23-2)15(21)20-9-6-7-12(11(17)8-9)24-16(18)19/h3-8,16H,1-2H3,(H,20,21)
InChIKeyUTZAGKHCDFZZFP-UHFFFAOYSA-N
XLogP4.21
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.74
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 2993738
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 26901535
N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51148287
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide
CID 55878270
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide
CID 37040206
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
2-(difluoromethoxy)-N-(3-ethylphenyl)-3-methoxybenzamide
CID 51143865
2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide
CID 51149413
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide
CID 7533072
N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 55551005

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide (CID 26901544) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1OC.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide?
The InChIKey is UTZAGKHCDFZZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO4/c1-22-13-5-3-4-10(14(13)23-2)15(21)20-9-6-7-12(11(17)8-9)24-16(18)19/h3-8,16H,1-2H3,(H,20,21).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide has a molecular weight of 357.74 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 26901544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).