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

C21H22F2N4O4 — CID 140894353

IUPACN-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
SMILESO=C(NNC(=O)C(F)F)c1ccc(CN(C(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C21H22F2N4O4/c22-18(23)20(29)25-24-19(28)16-8-6-15(7-9-16)14-27(17-4-2-1-3-5-17)21(30)26-10-12-31-13-11-26/h1-9,18H,10-14H2,(H,24,28)(H,25,29)
InChIKeyXOUQIADZLLIUNE-UHFFFAOYSA-N
MW432.43 g/mol
LogP2.17
Rot. Bonds5

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

N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide (PubChem CID 140894353) has the molecular formula C21H22F2N4O4 and a molecular weight of 432.43 g/mol. Its IUPAC name is N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
PubChem CID140894353
Molecular FormulaC21H22F2N4O4
Molecular Weight432.43 g/mol
Exact Mass432.16
IUPAC NameN-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
SMILESO=C(NNC(=O)C(F)F)c1ccc(CN(C(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C21H22F2N4O4/c22-18(23)20(29)25-24-19(28)16-8-6-15(7-9-16)14-27(17-4-2-1-3-5-17)21(30)26-10-12-31-13-11-26/h1-9,18H,10-14H2,(H,24,28)(H,25,29)
InChIKeyXOUQIADZLLIUNE-UHFFFAOYSA-N
XLogP2.17
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 52.17
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-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-(4-methylphenyl)thiomorpholine-4-carboxamide
CID 134584917
N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 144741604
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylpyridine-4-carboxamide
CID 134568607
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]-2-fluorophenyl]methyl]-N-phenylthiomorpholine-4-carboxamide
CID 151893523
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-[2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide
CID 134584556
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-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 140894690
N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 134584488
N-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide
CID 161031991
2-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]-2-fluorophenyl]methyl-phenylcarbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 134584064
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 134584348
N-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]morpholine-4-carboxamide
CID 86280925

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide?
The IUPAC name of N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide (CID 140894353) is N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide.
What is the SMILES notation for N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide?
The canonical SMILES for N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide is O=C(NNC(=O)C(F)F)c1ccc(CN(C(=O)N2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide?
The InChIKey is XOUQIADZLLIUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O4/c22-18(23)20(29)25-24-19(28)16-8-6-15(7-9-16)14-27(17-4-2-1-3-5-17)21(30)26-10-12-31-13-11-26/h1-9,18H,10-14H2,(H,24,28)(H,25,29).
What are the key properties of N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide?
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide has a molecular weight of 432.43 g/mol, XLogP of 2.17, 5 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-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 140894353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).