1-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-fluorophenyl)urea

C19H23FN2O3 — CID 729222

IUPAC1-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-fluorophenyl)urea
SMILESCCOc1ccc(CCNC(=O)Nc2ccc(F)cc2)cc1OCC
InChIInChI=1S/C19H23FN2O3/c1-3-24-17-10-5-14(13-18(17)25-4-2)11-12-21-19(23)22-16-8-6-15(20)7-9-16/h5-10,13H,3-4,11-12H2,1-2H3,(H2,21,22,23)
InChIKeyHTOPQOJLIDLXJA-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.99
Rot. Bonds8

About 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-fluorophenyl)urea

1-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-fluorophenyl)urea (PubChem CID 729222) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-fluorophenyl)urea
PubChem CID729222
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name1-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-fluorophenyl)urea
SMILESCCOc1ccc(CCNC(=O)Nc2ccc(F)cc2)cc1OCC
InChIInChI=1S/C19H23FN2O3/c1-3-24-17-10-5-14(13-18(17)25-4-2)11-12-21-19(23)22-16-8-6-15(20)7-9-16/h5-10,13H,3-4,11-12H2,1-2H3,(H2,21,22,23)
InChIKeyHTOPQOJLIDLXJA-UHFFFAOYSA-N
XLogP3.99
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dimethoxy-N-(4-methoxyphenyl)benzylamine
CID 784220
1-(4-fluorophenyl)-3-[(3R,4S)-4-(4-methoxyphenyl)oxolan-3-yl]urea
CID 124093849
1-(2,4-Difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
1-[2-(3,4-Diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea
CID 934870
1-(4-Chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 727786
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-dimethylphenyl)urea
CID 6466120
1-[2-(4-Methoxy-phenyl)-1-methyl-ethyl]-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 11025578
N-(4-ethoxybenzyl)-N'-phenylurea
CID 757706
1-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2,3-dimethylphenyl)thiourea
CID 2508573
N-(2,3-dihydrobenzo[b]furan-5-ylmethyl)-N'-phenylurea
CID 2742252
N-(4-fluorophenyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 2812735
6,7-dimethoxy-1-methyl-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 2812737

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-fluorophenyl)urea (CID 729222) is 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-fluorophenyl)urea is CCOc1ccc(CCNC(=O)Nc2ccc(F)cc2)cc1OCC.
What is the InChIKey of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-fluorophenyl)urea?
The InChIKey is HTOPQOJLIDLXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-3-24-17-10-5-14(13-18(17)25-4-2)11-12-21-19(23)22-16-8-6-15(20)7-9-16/h5-10,13H,3-4,11-12H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-fluorophenyl)urea?
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-fluorophenyl)urea has a molecular weight of 346.40 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 729222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).