N-[(3,5-dichloro-4-pyrazol-1-ylphenyl)carbamoyl]-2,6-difluorobenzamide

C17H10Cl2F2N4O2 — CID 14370440

IUPACN-[(3,5-dichloro-4-pyrazol-1-ylphenyl)carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(-n2cccn2)c(Cl)c1
InChIInChI=1S/C17H10Cl2F2N4O2/c18-10-7-9(8-11(19)15(10)25-6-2-5-22-25)23-17(27)24-16(26)14-12(20)3-1-4-13(14)21/h1-8H,(H2,23,24,26,27)
InChIKeyZMQNQIMWPZSJPH-UHFFFAOYSA-N
MW411.20 g/mol
LogP4.42
Rot. Bonds3

About N-[(3,5-dichloro-4-pyrazol-1-ylphenyl)carbamoyl]-2,6-difluorobenzamide

N-[(3,5-dichloro-4-pyrazol-1-ylphenyl)carbamoyl]-2,6-difluorobenzamide (PubChem CID 14370440) has the molecular formula C17H10Cl2F2N4O2 and a molecular weight of 411.20 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-pyrazol-1-ylphenyl)carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-pyrazol-1-ylphenyl)carbamoyl]-2,6-difluorobenzamide
PubChem CID14370440
Molecular FormulaC17H10Cl2F2N4O2
Molecular Weight411.20 g/mol
Exact Mass410.01
IUPAC NameN-[(3,5-dichloro-4-pyrazol-1-ylphenyl)carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(-n2cccn2)c(Cl)c1
InChIInChI=1S/C17H10Cl2F2N4O2/c18-10-7-9(8-11(19)15(10)25-6-2-5-22-25)23-17(27)24-16(26)14-12(20)3-1-4-13(14)21/h1-8H,(H2,23,24,26,27)
InChIKeyZMQNQIMWPZSJPH-UHFFFAOYSA-N
XLogP4.42
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.20
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dichloro-4-methoxyphenyl)carbamoyl]-2,6-difluorobenzamide
CID 54288472
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
2-chloro-6-fluoro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309602
N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70402586
N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134117338
N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 20524417
N-[[4-[carbamoyl-(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 142626372
N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 13262079
2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 23276641
2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 15740316
N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide
CID 53439408

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-4-pyrazol-1-ylphenyl)carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[(3,5-dichloro-4-pyrazol-1-ylphenyl)carbamoyl]-2,6-difluorobenzamide (CID 14370440) is N-[(3,5-dichloro-4-pyrazol-1-ylphenyl)carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[(3,5-dichloro-4-pyrazol-1-ylphenyl)carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[(3,5-dichloro-4-pyrazol-1-ylphenyl)carbamoyl]-2,6-difluorobenzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(-n2cccn2)c(Cl)c1.
What is the InChIKey of N-[(3,5-dichloro-4-pyrazol-1-ylphenyl)carbamoyl]-2,6-difluorobenzamide?
The InChIKey is ZMQNQIMWPZSJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N4O2/c18-10-7-9(8-11(19)15(10)25-6-2-5-22-25)23-17(27)24-16(26)14-12(20)3-1-4-13(14)21/h1-8H,(H2,23,24,26,27).
What are the key properties of N-[(3,5-dichloro-4-pyrazol-1-ylphenyl)carbamoyl]-2,6-difluorobenzamide?
N-[(3,5-dichloro-4-pyrazol-1-ylphenyl)carbamoyl]-2,6-difluorobenzamide has a molecular weight of 411.20 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-4-pyrazol-1-ylphenyl)carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 14370440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).