1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea

C12H17FN2O2 — CID 47307419

IUPAC1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea
SMILESCCOc1ccc(NC(=O)NC(C)C)cc1F
InChIInChI=1S/C12H17FN2O2/c1-4-17-11-6-5-9(7-10(11)13)15-12(16)14-8(2)3/h5-8H,4H2,1-3H3,(H2,14,15,16)
InChIKeyBSWXDUCHKJTVIT-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.75
Rot. Bonds4

About 1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea

1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea (PubChem CID 47307419) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea
PubChem CID47307419
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea
SMILESCCOc1ccc(NC(=O)NC(C)C)cc1F
InChIInChI=1S/C12H17FN2O2/c1-4-17-11-6-5-9(7-10(11)13)15-12(16)14-8(2)3/h5-8H,4H2,1-3H3,(H2,14,15,16)
InChIKeyBSWXDUCHKJTVIT-UHFFFAOYSA-N
XLogP2.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
2-[(4-ethoxy-3-fluorophenyl)carbamoylamino]butanoic acid
CID 103996497
1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774555
N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 115733830
1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea
CID 47261837
2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 107905692
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
(2S)-2-amino-N-(4-ethoxy-3-fluorophenyl)-3-methylbutanamide
CID 113264021
(2S)-4-[(4-ethoxy-3-fluorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107840883
N-(4-ethoxy-3-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206242
3-amino-N-(4-ethoxy-3-fluorophenyl)-2-methyl-3-sulfanylidenepropanamide
CID 113399765
3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 96672740

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea (CID 47307419) is 1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea is CCOc1ccc(NC(=O)NC(C)C)cc1F.
What is the InChIKey of 1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea?
The InChIKey is BSWXDUCHKJTVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-4-17-11-6-5-9(7-10(11)13)15-12(16)14-8(2)3/h5-8H,4H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea?
1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea has a molecular weight of 240.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea is sourced from PubChem (CID 47307419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).