1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea

C19H21FN2O2 — CID 47070305

IUPAC1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea
SMILESO=C(Nc1ccccc1F)N(Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C19H21FN2O2/c20-17-10-4-5-11-18(17)21-19(23)22(14-16-9-6-12-24-16)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,23)
InChIKeyGGEWVPWDGXUNCQ-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.04
Rot. Bonds5

About 1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea

1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea (PubChem CID 47070305) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea
PubChem CID47070305
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea
SMILESO=C(Nc1ccccc1F)N(Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C19H21FN2O2/c20-17-10-4-5-11-18(17)21-19(23)22(14-16-9-6-12-24-16)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,23)
InChIKeyGGEWVPWDGXUNCQ-UHFFFAOYSA-N
XLogP4.04
TPSA41.57 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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 5244605
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(2-fluorophenyl)acetamide
CID 78899950
methyl 4-[[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]-3-methylbenzoate
CID 94547950
1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 1462812
2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3430030
1-benzyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94503656
1-benzyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94503654
1-[[4-(dimethylamino)phenyl]methyl]-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 41430702
3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 40622198
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
N'-cyclopentyl-N-(2-fluorophenyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 99588187
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea (CID 47070305) is 1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea is O=C(Nc1ccccc1F)N(Cc1ccccc1)CC1CCCO1.
What is the InChIKey of 1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea?
The InChIKey is GGEWVPWDGXUNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-17-10-4-5-11-18(17)21-19(23)22(14-16-9-6-12-24-16)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,23).
What are the key properties of 1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea?
1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea has a molecular weight of 328.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 47070305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).