2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide

C15H12F2N2O3 — CID 15740316

IUPAC2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
SMILESCOc1cccc(NC(=O)NC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C15H12F2N2O3/c1-22-10-5-2-4-9(8-10)18-15(21)19-14(20)13-11(16)6-3-7-12(13)17/h2-8H,1H3,(H2,18,19,20,21)
InChIKeyTUDSSMMNRATJEK-UHFFFAOYSA-N
MW306.27 g/mol
LogP2.94
Rot. Bonds3

About 2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide

2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide (PubChem CID 15740316) has the molecular formula C15H12F2N2O3 and a molecular weight of 306.27 g/mol. Its IUPAC name is 2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
PubChem CID15740316
Molecular FormulaC15H12F2N2O3
Molecular Weight306.27 g/mol
Exact Mass306.08
IUPAC Name2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
SMILESCOc1cccc(NC(=O)NC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C15H12F2N2O3/c1-22-10-5-2-4-9(8-10)18-15(21)19-14(20)13-11(16)6-3-7-12(13)17/h2-8H,1H3,(H2,18,19,20,21)
InChIKeyTUDSSMMNRATJEK-UHFFFAOYSA-N
XLogP2.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide
CID 15452397
N-[(3,5-dichloro-4-methoxyphenyl)carbamoyl]-2,6-difluorobenzamide
CID 54288472
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
2-amino-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 108869162
N-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,3,5,6-tetrafluorobenzamide
CID 134104747
2,6-difluoro-N-[[4-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methoxyphenyl]carbamoyl]benzamide
CID 134101620
N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 141254822
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 954556
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide (CID 15740316) is 2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide is COc1cccc(NC(=O)NC(=O)c2c(F)cccc2F)c1.
What is the InChIKey of 2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide?
The InChIKey is TUDSSMMNRATJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O3/c1-22-10-5-2-4-9(8-10)18-15(21)19-14(20)13-11(16)6-3-7-12(13)17/h2-8H,1H3,(H2,18,19,20,21).
What are the key properties of 2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide?
2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide has a molecular weight of 306.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide is sourced from PubChem (CID 15740316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).