1-[(2-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea

C18H21FN2O2 — CID 113216418

IUPAC1-[(2-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
SMILESCOc1ccc(C(C)(C)NC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O2/c1-18(2,14-8-10-15(23-3)11-9-14)21-17(22)20-12-13-6-4-5-7-16(13)19/h4-11H,12H2,1-3H3,(H2,20,21,22)
InChIKeyUTOAWYMITCCPSV-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.57
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea

1-[(2-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea (PubChem CID 113216418) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
PubChem CID113216418
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
SMILESCOc1ccc(C(C)(C)NC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O2/c1-18(2,14-8-10-15(23-3)11-9-14)21-17(22)20-12-13-6-4-5-7-16(13)19/h4-11H,12H2,1-3H3,(H2,20,21,22)
InChIKeyUTOAWYMITCCPSV-UHFFFAOYSA-N
XLogP3.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea
CID 113216413
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216421
1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216496
N-[(2-fluorophenyl)methyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198405
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216461
1-[2-(dimethylamino)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216404
(2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 8571270
N-[4-[(2-fluorophenyl)methylamino]phenyl]-4-methoxybenzamide
CID 112982380
N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109020684
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201290
4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2677119

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea (CID 113216418) is 1-[(2-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea is COc1ccc(C(C)(C)NC(=O)NCc2ccccc2F)cc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The InChIKey is UTOAWYMITCCPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-18(2,14-8-10-15(23-3)11-9-14)21-17(22)20-12-13-6-4-5-7-16(13)19/h4-11H,12H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
1-[(2-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea has a molecular weight of 316.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 113216418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).