N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylpyridine-4-carboxamide

C22H18F2N4O3 — CID 134568607

IUPACN-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylpyridine-4-carboxamide
SMILESO=C(NNC(=O)C(F)F)c1ccc(CN(C(=O)c2ccncc2)c2ccccc2)cc1
InChIInChI=1S/C22H18F2N4O3/c23-19(24)21(30)27-26-20(29)16-8-6-15(7-9-16)14-28(18-4-2-1-3-5-18)22(31)17-10-12-25-13-11-17/h1-13,19H,14H2,(H,26,29)(H,27,30)
InChIKeyHFDRAABRWBMNKY-UHFFFAOYSA-N
MW424.41 g/mol
LogP2.95
Rot. Bonds6

About N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylpyridine-4-carboxamide

N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylpyridine-4-carboxamide (PubChem CID 134568607) has the molecular formula C22H18F2N4O3 and a molecular weight of 424.41 g/mol. Its IUPAC name is N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylpyridine-4-carboxamide
PubChem CID134568607
Molecular FormulaC22H18F2N4O3
Molecular Weight424.41 g/mol
Exact Mass424.13
IUPAC NameN-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylpyridine-4-carboxamide
SMILESO=C(NNC(=O)C(F)F)c1ccc(CN(C(=O)c2ccncc2)c2ccccc2)cc1
InChIInChI=1S/C22H18F2N4O3/c23-19(24)21(30)27-26-20(29)16-8-6-15(7-9-16)14-28(18-4-2-1-3-5-18)22(31)17-10-12-25-13-11-17/h1-13,19H,14H2,(H,26,29)(H,27,30)
InChIKeyHFDRAABRWBMNKY-UHFFFAOYSA-N
XLogP2.95
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpyridine-4-carboxamide
CID 126544270
N-phenyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]benzamide
CID 126544300
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 140894353
[4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid
CID 134584304
N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyridine-4-carboxamide
CID 126544271
4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109044170
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide
CID 140894376
N-benzyl-4-bromo-N-phenylbenzamide
CID 15817231
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
3-ethyl-1-phenyl-1-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]urea
CID 134584626
methyl 4-[benzyl(phenyl)carbamoyl]benzoate
CID 24819418
N-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide
CID 52733507

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylpyridine-4-carboxamide?
The IUPAC name of N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylpyridine-4-carboxamide (CID 134568607) is N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylpyridine-4-carboxamide?
The canonical SMILES for N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylpyridine-4-carboxamide is O=C(NNC(=O)C(F)F)c1ccc(CN(C(=O)c2ccncc2)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylpyridine-4-carboxamide?
The InChIKey is HFDRAABRWBMNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O3/c23-19(24)21(30)27-26-20(29)16-8-6-15(7-9-16)14-28(18-4-2-1-3-5-18)22(31)17-10-12-25-13-11-17/h1-13,19H,14H2,(H,26,29)(H,27,30).
What are the key properties of N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylpyridine-4-carboxamide?
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylpyridine-4-carboxamide has a molecular weight of 424.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 134568607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).