2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide

C22H18F2N2O3 — CID 20524527

IUPAC2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2F)ccc1OCc1ccccc1
InChIInChI=1S/C22H18F2N2O3/c1-14-12-16(10-11-19(14)29-13-15-6-3-2-4-7-15)25-22(28)26-21(27)20-17(23)8-5-9-18(20)24/h2-12H,13H2,1H3,(H2,25,26,27,28)
InChIKeyREEAEKGJGVSAHM-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.81
Rot. Bonds5

About 2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide

2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide (PubChem CID 20524527) has the molecular formula C22H18F2N2O3 and a molecular weight of 396.39 g/mol. Its IUPAC name is 2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
PubChem CID20524527
Molecular FormulaC22H18F2N2O3
Molecular Weight396.39 g/mol
Exact Mass396.13
IUPAC Name2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2F)ccc1OCc1ccccc1
InChIInChI=1S/C22H18F2N2O3/c1-14-12-16(10-11-19(14)29-13-15-6-3-2-4-7-15)25-22(28)26-21(27)20-17(23)8-5-9-18(20)24/h2-12H,13H2,1H3,(H2,25,26,27,28)
InChIKeyREEAEKGJGVSAHM-UHFFFAOYSA-N
XLogP4.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
CID 134113957
N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70577810
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide
CID 70575675
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
2,6-difluoro-N-[[4-[(3-nitrophenyl)methoxy]phenyl]carbamoyl]benzamide
CID 3036753
N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 13262079
1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide
CID 100692286
N-[[(2,6-difluorobenzoyl)amino]-(3-methoxy-4-phenylmethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 2421298
2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(2-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide
CID 14100481
2,6-dimethoxy-N-[(6-phenylmethoxy-3-pyridinyl)carbamoyl]benzamide
CID 12912868
2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 15740316

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide (CID 20524527) is 2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide is Cc1cc(NC(=O)NC(=O)c2c(F)cccc2F)ccc1OCc1ccccc1.
What is the InChIKey of 2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide?
The InChIKey is REEAEKGJGVSAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O3/c1-14-12-16(10-11-19(14)29-13-15-6-3-2-4-7-15)25-22(28)26-21(27)20-17(23)8-5-9-18(20)24/h2-12H,13H2,1H3,(H2,25,26,27,28).
What are the key properties of 2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide?
2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide has a molecular weight of 396.39 g/mol, XLogP of 4.81, 5 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-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide is sourced from PubChem (CID 20524527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).