1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea

C19H23FN2O4 — CID 113216229

IUPAC1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NC(C)(C)c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C19H23FN2O4/c1-19(2,12-6-8-13(20)9-7-12)22-18(23)21-14-10-15(24-3)17(26-5)16(11-14)25-4/h6-11H,1-5H3,(H2,21,22,23)
InChIKeyXAHASVFQBHYWCA-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.91
Rot. Bonds6

About 1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea

1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 113216229) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID113216229
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NC(C)(C)c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C19H23FN2O4/c1-19(2,12-6-8-13(20)9-7-12)22-18(23)21-14-10-15(24-3)17(26-5)16(11-14)25-4/h6-11H,1-5H3,(H2,21,22,23)
InChIKeyXAHASVFQBHYWCA-UHFFFAOYSA-N
XLogP3.91
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4,5-trimethoxyphenyl)-3-[2-[3-[2-[(3,4,5-trimethoxyphenyl)carbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
CID 43835557
1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea
CID 110469738
1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 46859657
1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216738
1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216726
1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 113216228
1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216514
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea
CID 113216338
1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 17171369
N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037688
N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide
CID 24536642
5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide
CID 166667390

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea (CID 113216229) is 1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)NC(C)(C)c2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of 1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is XAHASVFQBHYWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4/c1-19(2,12-6-8-13(20)9-7-12)22-18(23)21-14-10-15(24-3)17(26-5)16(11-14)25-4/h6-11H,1-5H3,(H2,21,22,23).
What are the key properties of 1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea?
1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 362.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 113216229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).