N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide

C21H15ClF2N2O3 — CID 70577810

IUPACN-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C21H15ClF2N2O3/c22-15-4-1-2-7-18(15)29-12-13-8-10-14(11-9-13)25-21(28)26-20(27)19-16(23)5-3-6-17(19)24/h1-11H,12H2,(H2,25,26,27,28)
InChIKeyDXJVVWKDVOUAMB-UHFFFAOYSA-N
MW416.81 g/mol
LogP5.16
Rot. Bonds5

About N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide

N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 70577810) has the molecular formula C21H15ClF2N2O3 and a molecular weight of 416.81 g/mol. Its IUPAC name is N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID70577810
Molecular FormulaC21H15ClF2N2O3
Molecular Weight416.81 g/mol
Exact Mass416.07
IUPAC NameN-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C21H15ClF2N2O3/c22-15-4-1-2-7-18(15)29-12-13-8-10-14(11-9-13)25-21(28)26-20(27)19-16(23)5-3-6-17(19)24/h1-11H,12H2,(H2,25,26,27,28)
InChIKeyDXJVVWKDVOUAMB-UHFFFAOYSA-N
XLogP5.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.81
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
CID 20524527
2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
CID 134113957
2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide
CID 20524381
2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide
CID 70575675
N-[[4-[[(Z)-[1-(4-chlorophenyl)-2-methylpropylidene]amino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 88676124
N-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 88671840
N-[[4-[[[(4-chlorophenyl)-cyclopropylidenemethyl]amino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 56628540
N-[[4-[[1-(4-chlorophenyl)but-1-enylamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 57320590
2,6-difluoro-N-[[4-[(3-nitrophenyl)methoxy]phenyl]carbamoyl]benzamide
CID 3036753
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide
CID 20524462

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide (CID 70577810) is N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(COc2ccccc2Cl)cc1.
What is the InChIKey of N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is DXJVVWKDVOUAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N2O3/c22-15-4-1-2-7-18(15)29-12-13-8-10-14(11-9-13)25-21(28)26-20(27)19-16(23)5-3-6-17(19)24/h1-11H,12H2,(H2,25,26,27,28).
What are the key properties of N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 416.81 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 70577810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).