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

C21H27FN2O2 — CID 86943844

IUPAC1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
SMILESCCN(C(=O)NC(C)Cc1cccc(OC)c1)C(C)c1ccc(F)cc1
InChIInChI=1S/C21H27FN2O2/c1-5-24(16(3)18-9-11-19(22)12-10-18)21(25)23-15(2)13-17-7-6-8-20(14-17)26-4/h6-12,14-16H,5,13H2,1-4H3,(H,23,25)
InChIKeyDMCWRAHHHMCQJX-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.56
Rot. Bonds7

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

1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea (PubChem CID 86943844) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
PubChem CID86943844
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC Name1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
SMILESCCN(C(=O)NC(C)Cc1cccc(OC)c1)C(C)c1ccc(F)cc1
InChIInChI=1S/C21H27FN2O2/c1-5-24(16(3)18-9-11-19(22)12-10-18)21(25)23-15(2)13-17-7-6-8-20(14-17)26-4/h6-12,14-16H,5,13H2,1-4H3,(H,23,25)
InChIKeyDMCWRAHHHMCQJX-UHFFFAOYSA-N
XLogP4.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 87037661
1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea
CID 86943865
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943269
(E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 86941786
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 86941749
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943088
1-ethyl-1-(furan-3-ylmethyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 56789155
N-(4-fluoro-2-methylphenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532470
3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea
CID 96532415

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea (CID 86943844) is 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea is CCN(C(=O)NC(C)Cc1cccc(OC)c1)C(C)c1ccc(F)cc1.
What is the InChIKey of 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The InChIKey is DMCWRAHHHMCQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2/c1-5-24(16(3)18-9-11-19(22)12-10-18)21(25)23-15(2)13-17-7-6-8-20(14-17)26-4/h6-12,14-16H,5,13H2,1-4H3,(H,23,25).
What are the key properties of 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea has a molecular weight of 358.46 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 86943844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).