1-[(4-fluorophenyl)methyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylurea

C19H22F2N2O — CID 60614116

IUPAC1-[(4-fluorophenyl)methyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylurea
SMILESCN(Cc1ccc(F)cc1)C(=O)NCC(C)(C)c1ccccc1F
InChIInChI=1S/C19H22F2N2O/c1-19(2,16-6-4-5-7-17(16)21)13-22-18(24)23(3)12-14-8-10-15(20)11-9-14/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyAFLRVKKXYPQUAM-UHFFFAOYSA-N
MW332.39 g/mol
LogP4.08
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylurea

1-[(4-fluorophenyl)methyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylurea (PubChem CID 60614116) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylurea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylurea
PubChem CID60614116
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylurea
SMILESCN(Cc1ccc(F)cc1)C(=O)NCC(C)(C)c1ccccc1F
InChIInChI=1S/C19H22F2N2O/c1-19(2,16-6-4-5-7-17(16)21)13-22-18(24)23(3)12-14-8-10-15(20)11-9-14/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyAFLRVKKXYPQUAM-UHFFFAOYSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 112792620
1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea
CID 110913086
N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 110442195
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 51274165
N-[2-(2-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159146
N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide
CID 56787694
5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid
CID 119183626
3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide
CID 52834645
2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 78771203
2-amino-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591195
1-[(4-bromophenyl)methyl]-3-[(2-fluorophenyl)methyl]-1-methylurea
CID 38945216
1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 51274161

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylurea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylurea (CID 60614116) is 1-[(4-fluorophenyl)methyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylurea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylurea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylurea is CN(Cc1ccc(F)cc1)C(=O)NCC(C)(C)c1ccccc1F.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylurea?
The InChIKey is AFLRVKKXYPQUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O/c1-19(2,16-6-4-5-7-17(16)21)13-22-18(24)23(3)12-14-8-10-15(20)11-9-14/h4-11H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylurea?
1-[(4-fluorophenyl)methyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylurea has a molecular weight of 332.39 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylurea is sourced from PubChem (CID 60614116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).