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

C20H25FN2O3 — CID 97428539

IUPAC1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC[C@@](C)(OC)c2ccccc2F)cc1
InChIInChI=1S/C20H25FN2O3/c1-20(26-3,17-6-4-5-7-18(17)21)14-23-19(24)22-13-12-15-8-10-16(25-2)11-9-15/h4-11H,12-14H2,1-3H3,(H2,22,23,24)/t20-/m1/s1
InChIKeyYRPLILBPSRIJDN-HXUWFJFHSA-N
MW360.43 g/mol
LogP3.24
Rot. Bonds8

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

1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 97428539) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID97428539
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC[C@@](C)(OC)c2ccccc2F)cc1
InChIInChI=1S/C20H25FN2O3/c1-20(26-3,17-6-4-5-7-18(17)21)14-23-19(24)22-13-12-15-8-10-16(25-2)11-9-15/h4-11H,12-14H2,1-3H3,(H2,22,23,24)/t20-/m1/s1
InChIKeyYRPLILBPSRIJDN-HXUWFJFHSA-N
XLogP3.24
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methoxyphenyl)propanamide
CID 71810627
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 97428425
2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 90599157
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide
CID 90599167
1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 90497661
2-ethoxy-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 97428304
N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 97428501
N-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide
CID 90599204
1-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 95984566
N-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109001307
ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate
CID 71810594

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea (CID 97428539) is 1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)NC[C@@](C)(OC)c2ccccc2F)cc1.
What is the InChIKey of 1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is YRPLILBPSRIJDN-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-20(26-3,17-6-4-5-7-18(17)21)14-23-19(24)22-13-12-15-8-10-16(25-2)11-9-15/h4-11H,12-14H2,1-3H3,(H2,22,23,24)/t20-/m1/s1.
What are the key properties of 1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 360.43 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 97428539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).