N-[[5-chloro-2-methyl-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide

C27H19ClF2N2O3 — CID 19072665

IUPACN-[[5-chloro-2-methyl-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCc1cc(Oc2ccccc2-c2ccccc2)c(Cl)cc1NC(=O)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C27H19ClF2N2O3/c1-16-14-24(35-23-13-6-5-10-18(23)17-8-3-2-4-9-17)19(28)15-22(16)31-27(34)32-26(33)25-20(29)11-7-12-21(25)30/h2-15H,1H3,(H2,31,32,33,34)
InChIKeyBDQVGDIHIWBRDM-UHFFFAOYSA-N
MW492.91 g/mol
LogP7.35
Rot. Bonds5

About N-[[5-chloro-2-methyl-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide

N-[[5-chloro-2-methyl-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 19072665) has the molecular formula C27H19ClF2N2O3 and a molecular weight of 492.91 g/mol. Its IUPAC name is N-[[5-chloro-2-methyl-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[5-chloro-2-methyl-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID19072665
Molecular FormulaC27H19ClF2N2O3
Molecular Weight492.91 g/mol
Exact Mass492.11
IUPAC NameN-[[5-chloro-2-methyl-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCc1cc(Oc2ccccc2-c2ccccc2)c(Cl)cc1NC(=O)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C27H19ClF2N2O3/c1-16-14-24(35-23-13-6-5-10-18(23)17-8-3-2-4-9-17)19(28)15-22(16)31-27(34)32-26(33)25-20(29)11-7-12-21(25)30/h2-15H,1H3,(H2,31,32,33,34)
InChIKeyBDQVGDIHIWBRDM-UHFFFAOYSA-N
XLogP7.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.91
LogP ≤ 57.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70402586
N-[[2,5-dichloro-4-[(2-phenylphenyl)methoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70401584
N-[[3-chloro-4-(2-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626084
N-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626040
N-[[3,5-dichloro-4-(4-nitro-2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 19072689
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 12817125
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 13262079
2-chloro-N-[[5-chloro-4-[(4-chloro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylphenyl]carbamoyl]benzamide
CID 19072983
N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
CID 104667512
N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626021

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-methyl-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[5-chloro-2-methyl-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide (CID 19072665) is N-[[5-chloro-2-methyl-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[5-chloro-2-methyl-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[5-chloro-2-methyl-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide is Cc1cc(Oc2ccccc2-c2ccccc2)c(Cl)cc1NC(=O)NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-[[5-chloro-2-methyl-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is BDQVGDIHIWBRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClF2N2O3/c1-16-14-24(35-23-13-6-5-10-18(23)17-8-3-2-4-9-17)19(28)15-22(16)31-27(34)32-26(33)25-20(29)11-7-12-21(25)30/h2-15H,1H3,(H2,31,32,33,34).
What are the key properties of N-[[5-chloro-2-methyl-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[5-chloro-2-methyl-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 492.91 g/mol, XLogP of 7.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-methyl-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 19072665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).