1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea

C19H23FN2O2 — CID 111430106

IUPAC1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea
SMILESCC(C)C(CO)N(Cc1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H23FN2O2/c1-14(2)18(13-23)22(12-15-8-4-3-5-9-15)19(24)21-17-11-7-6-10-16(17)20/h3-11,14,18,23H,12-13H2,1-2H3,(H,21,24)
InChIKeyWJMWBTBKLAENOP-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.88
Rot. Bonds6

About 1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea

1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea (PubChem CID 111430106) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea
PubChem CID111430106
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea
SMILESCC(C)C(CO)N(Cc1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H23FN2O2/c1-14(2)18(13-23)22(12-15-8-4-3-5-9-15)19(24)21-17-11-7-6-10-16(17)20/h3-11,14,18,23H,12-13H2,1-2H3,(H,21,24)
InChIKeyWJMWBTBKLAENOP-UHFFFAOYSA-N
XLogP3.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea 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

1-benzyl-3-(3-chloro-4-methylphenyl)-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 95772231
3-(2-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]-1-(1-phenylethyl)urea
CID 42702973
1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea
CID 4803240
(2S)-2-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxy-3-methylbutanamide
CID 10833427
1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea
CID 61014414
1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea
CID 108868724
1-butan-2-yl-3-(2-fluorophenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708380
1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea
CID 47072864
N-benzyl-2-[(2-fluorophenyl)carbamoyl-propan-2-ylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 1060108
3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea
CID 2242088
3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea
CID 62334084
(2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169351

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea?
The IUPAC name of 1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea (CID 111430106) is 1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea?
The canonical SMILES for 1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea is CC(C)C(CO)N(Cc1ccccc1)C(=O)Nc1ccccc1F.
What is the InChIKey of 1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea?
The InChIKey is WJMWBTBKLAENOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14(2)18(13-23)22(12-15-8-4-3-5-9-15)19(24)21-17-11-7-6-10-16(17)20/h3-11,14,18,23H,12-13H2,1-2H3,(H,21,24).
What are the key properties of 1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea?
1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea has a molecular weight of 330.40 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea is sourced from PubChem (CID 111430106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).