N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide

C26H19ClF2N2O3 — CID 13262079

IUPACN-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2F)cc(C)c1Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C26H19ClF2N2O3/c1-14-12-16(30-26(33)31-25(32)23-20(28)8-5-9-21(23)29)13-15(2)24(14)34-22-11-10-19(27)17-6-3-4-7-18(17)22/h3-13H,1-2H3,(H2,30,31,32,33)
InChIKeyVMFMPVPWZMPKJC-UHFFFAOYSA-N
MW480.90 g/mol
LogP7.14
Rot. Bonds4

About N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide

N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 13262079) has the molecular formula C26H19ClF2N2O3 and a molecular weight of 480.90 g/mol. Its IUPAC name is N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID13262079
Molecular FormulaC26H19ClF2N2O3
Molecular Weight480.90 g/mol
Exact Mass480.11
IUPAC NameN-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2F)cc(C)c1Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C26H19ClF2N2O3/c1-14-12-16(30-26(33)31-25(32)23-20(28)8-5-9-21(23)29)13-15(2)24(14)34-22-11-10-19(27)17-6-3-4-7-18(17)22/h3-13H,1-2H3,(H2,30,31,32,33)
InChIKeyVMFMPVPWZMPKJC-UHFFFAOYSA-N
XLogP7.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.90
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
2,4-dichloro-N-[[3,5-dichloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]carbamoyl]pyridine-3-carboxamide
CID 19073020
N-[(3,5-dichloro-4-methoxyphenyl)carbamoyl]-2,6-difluorobenzamide
CID 54288472
N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70402586
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
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-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626021
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 12817125
N-[[4-(4-bromo-2-fluorophenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626064
2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
CID 20524527
N-[[3,5-dichloro-4-(4-nitro-2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 19072689

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide (CID 13262079) is N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide is Cc1cc(NC(=O)NC(=O)c2c(F)cccc2F)cc(C)c1Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is VMFMPVPWZMPKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF2N2O3/c1-14-12-16(30-26(33)31-25(32)23-20(28)8-5-9-21(23)29)13-15(2)24(14)34-22-11-10-19(27)17-6-3-4-7-18(17)22/h3-13H,1-2H3,(H2,30,31,32,33).
What are the key properties of N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 480.90 g/mol, XLogP of 7.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 13262079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).