1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea

C18H20F2N2O2 — CID 97428533

IUPAC1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCO[C@](C)(CNC(=O)NCc1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C18H20F2N2O2/c1-18(24-2,15-5-3-4-6-16(15)20)12-22-17(23)21-11-13-7-9-14(19)10-8-13/h3-10H,11-12H2,1-2H3,(H2,21,22,23)/t18-/m1/s1
InChIKeyPQEYUUIEEQXQNW-GOSISDBHSA-N
MW334.37 g/mol
LogP3.33
Rot. Bonds6

About 1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea

1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 97428533) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID97428533
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCO[C@](C)(CNC(=O)NCc1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C18H20F2N2O2/c1-18(24-2,15-5-3-4-6-16(15)20)12-22-17(23)21-11-13-7-9-14(19)10-8-13/h3-10H,11-12H2,1-2H3,(H2,21,22,23)/t18-/m1/s1
InChIKeyPQEYUUIEEQXQNW-GOSISDBHSA-N
XLogP3.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 97428501
4-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 90599067
1-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 71810708
1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 97428539
1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea
CID 90599413
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methoxyphenyl)propanamide
CID 71810627
1-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]methanesulfonamide
CID 90599242
2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 90599157
ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate
CID 71810594
1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]urea
CID 97428542
N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 97428425
N-[2-(2-fluorophenyl)-2-methoxypropyl]naphthalene-1-carboxamide
CID 90599111

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea (CID 97428533) is 1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea is CO[C@](C)(CNC(=O)NCc1ccc(F)cc1)c1ccccc1F.
What is the InChIKey of 1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is PQEYUUIEEQXQNW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-18(24-2,15-5-3-4-6-16(15)20)12-22-17(23)21-11-13-7-9-14(19)10-8-13/h3-10H,11-12H2,1-2H3,(H2,21,22,23)/t18-/m1/s1.
What are the key properties of 1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea?
1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 334.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 97428533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).