3-(2-fluorophenyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea

C18H21FN2O2 — CID 52505851

IUPAC3-(2-fluorophenyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea
SMILESCOc1ccc(C[C@H](C)N(C)C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O2/c1-13(12-14-8-10-15(23-3)11-9-14)21(2)18(22)20-17-7-5-4-6-16(17)19/h4-11,13H,12H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeySDMUYQFKKRLYDS-ZDUSSCGKSA-N
MW316.38 g/mol
LogP3.93
Rot. Bonds5

About 3-(2-fluorophenyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea

3-(2-fluorophenyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea (PubChem CID 52505851) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea
PubChem CID52505851
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name3-(2-fluorophenyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea
SMILESCOc1ccc(C[C@H](C)N(C)C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O2/c1-13(12-14-8-10-15(23-3)11-9-14)21(2)18(22)20-17-7-5-4-6-16(17)19/h4-11,13H,12H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeySDMUYQFKKRLYDS-ZDUSSCGKSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-fluorophenyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyphenyl)-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea
CID 52503085
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
N-(2-fluorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054040
3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea
CID 62334084
3-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea
CID 52510628
N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-5-(4-methoxyphenyl)pentanamide
CID 110615569
N-(2,3-difluorophenyl)-N'-methyl-N'-[1-(4-methylphenyl)propan-2-yl]oxamide
CID 146132621
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1233822
(2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide
CID 95291104
3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 42930015
1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea
CID 63225235
2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 16610917

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea?
The IUPAC name of 3-(2-fluorophenyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea (CID 52505851) is 3-(2-fluorophenyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea?
The canonical SMILES for 3-(2-fluorophenyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea is COc1ccc(C[C@H](C)N(C)C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea?
The InChIKey is SDMUYQFKKRLYDS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-13(12-14-8-10-15(23-3)11-9-14)21(2)18(22)20-17-7-5-4-6-16(17)19/h4-11,13H,12H2,1-3H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 3-(2-fluorophenyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea?
3-(2-fluorophenyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea has a molecular weight of 316.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea is sourced from PubChem (CID 52505851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).