N-[3-chloro-4-(difluoromethoxy)phenyl]-3-phenylimidazole-4-carboxamide

C17H12ClF2N3O2 — CID 29110977

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-3-phenylimidazole-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cncn1-c1ccccc1
InChIInChI=1S/C17H12ClF2N3O2/c18-13-8-11(6-7-15(13)25-17(19)20)22-16(24)14-9-21-10-23(14)12-4-2-1-3-5-12/h1-10,17H,(H,22,24)
InChIKeySBRQJNLENVAXLR-UHFFFAOYSA-N
MW363.75 g/mol
LogP4.38
Rot. Bonds5

About N-[3-chloro-4-(difluoromethoxy)phenyl]-3-phenylimidazole-4-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-3-phenylimidazole-4-carboxamide (PubChem CID 29110977) has the molecular formula C17H12ClF2N3O2 and a molecular weight of 363.75 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-3-phenylimidazole-4-carboxamide
PubChem CID29110977
Molecular FormulaC17H12ClF2N3O2
Molecular Weight363.75 g/mol
Exact Mass363.06
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-3-phenylimidazole-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cncn1-c1ccccc1
InChIInChI=1S/C17H12ClF2N3O2/c18-13-8-11(6-7-15(13)25-17(19)20)22-16(24)14-9-21-10-23(14)12-4-2-1-3-5-12/h1-10,17H,(H,22,24)
InChIKeySBRQJNLENVAXLR-UHFFFAOYSA-N
XLogP4.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.75
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
N-(3-methylphenyl)-3-phenylimidazole-4-carboxamide
CID 27166887
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414567
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16621443
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7942994
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 26901420
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylimidazole-4-carboxamide
CID 17422285
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 26901535
3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide
CID 26247982
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
N-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 46399207
2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 16527789

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-phenylimidazole-4-carboxamide (CID 29110977) is N-[3-chloro-4-(difluoromethoxy)phenyl]-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-phenylimidazole-4-carboxamide is O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cncn1-c1ccccc1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-phenylimidazole-4-carboxamide?
The InChIKey is SBRQJNLENVAXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O2/c18-13-8-11(6-7-15(13)25-17(19)20)22-16(24)14-9-21-10-23(14)12-4-2-1-3-5-12/h1-10,17H,(H,22,24).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-phenylimidazole-4-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-phenylimidazole-4-carboxamide has a molecular weight of 363.75 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 29110977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).