3-[1-(4-fluorophenyl)-3-(4-methylphenyl)-3-oxopropyl]-1,1-dimethylurea

C19H21FN2O2 — CID 52952445

IUPAC3-[1-(4-fluorophenyl)-3-(4-methylphenyl)-3-oxopropyl]-1,1-dimethylurea
SMILESCc1ccc(C(=O)CC(NC(=O)N(C)C)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O2/c1-13-4-6-15(7-5-13)18(23)12-17(21-19(24)22(2)3)14-8-10-16(20)11-9-14/h4-11,17H,12H2,1-3H3,(H,21,24)
InChIKeyVBWTZASAUWTBDE-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.72
Rot. Bonds5

About 3-[1-(4-fluorophenyl)-3-(4-methylphenyl)-3-oxopropyl]-1,1-dimethylurea

3-[1-(4-fluorophenyl)-3-(4-methylphenyl)-3-oxopropyl]-1,1-dimethylurea (PubChem CID 52952445) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-3-(4-methylphenyl)-3-oxopropyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-3-(4-methylphenyl)-3-oxopropyl]-1,1-dimethylurea
PubChem CID52952445
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name3-[1-(4-fluorophenyl)-3-(4-methylphenyl)-3-oxopropyl]-1,1-dimethylurea
SMILESCc1ccc(C(=O)CC(NC(=O)N(C)C)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O2/c1-13-4-6-15(7-5-13)18(23)12-17(21-19(24)22(2)3)14-8-10-16(20)11-9-14/h4-11,17H,12H2,1-3H3,(H,21,24)
InChIKeyVBWTZASAUWTBDE-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxopropyl]acetamide
CID 44561095
(3R)-3-(4-fluorophenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 766742
3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 132592034
(3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 971422
(3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one
CID 51695922
3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one
CID 132593466
(3S)-3-[[(2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]-3-(4-methylphenyl)propanoic acid
CID 9406045
3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 13442249
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
(3S)-1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-(3-methylanilino)propan-1-one
CID 40978401
(3S)-3-[[(2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]-3-(4-methylphenyl)propanoate
CID 9406044
(3S)-1,3-bis(4-chlorophenyl)-3-(4-fluoroanilino)propan-1-one
CID 7034447

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-3-(4-methylphenyl)-3-oxopropyl]-1,1-dimethylurea?
The IUPAC name of 3-[1-(4-fluorophenyl)-3-(4-methylphenyl)-3-oxopropyl]-1,1-dimethylurea (CID 52952445) is 3-[1-(4-fluorophenyl)-3-(4-methylphenyl)-3-oxopropyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-3-(4-methylphenyl)-3-oxopropyl]-1,1-dimethylurea?
The canonical SMILES for 3-[1-(4-fluorophenyl)-3-(4-methylphenyl)-3-oxopropyl]-1,1-dimethylurea is Cc1ccc(C(=O)CC(NC(=O)N(C)C)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)-3-(4-methylphenyl)-3-oxopropyl]-1,1-dimethylurea?
The InChIKey is VBWTZASAUWTBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-4-6-15(7-5-13)18(23)12-17(21-19(24)22(2)3)14-8-10-16(20)11-9-14/h4-11,17H,12H2,1-3H3,(H,21,24).
What are the key properties of 3-[1-(4-fluorophenyl)-3-(4-methylphenyl)-3-oxopropyl]-1,1-dimethylurea?
3-[1-(4-fluorophenyl)-3-(4-methylphenyl)-3-oxopropyl]-1,1-dimethylurea has a molecular weight of 328.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-3-(4-methylphenyl)-3-oxopropyl]-1,1-dimethylurea is sourced from PubChem (CID 52952445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).