1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea

C19H23FN2O2 — CID 87037661

IUPAC1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCCN(C(=O)NCc1cccc(OC)c1)C(C)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2/c1-4-22(14(2)16-8-10-17(20)11-9-16)19(23)21-13-15-6-5-7-18(12-15)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,23)
InChIKeyPTKBNYRKXZKJIH-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.13
Rot. Bonds6

About 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea

1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 87037661) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
PubChem CID87037661
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCCN(C(=O)NCc1cccc(OC)c1)C(C)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2/c1-4-22(14(2)16-8-10-17(20)11-9-16)19(23)21-13-15-6-5-7-18(12-15)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,23)
InChIKeyPTKBNYRKXZKJIH-UHFFFAOYSA-N
XLogP4.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943844
1-ethyl-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]urea
CID 52505168
1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 78886119
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 134021325
3-[[ethyl-[1-(3-methoxyphenyl)ethyl]carbamoyl]amino]propanoic acid
CID 122019316
N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 75807721
N-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide
CID 56814248
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55931117
3-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-1-methylurea
CID 94585461
N'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 43990693

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea (CID 87037661) is 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea is CCN(C(=O)NCc1cccc(OC)c1)C(C)c1ccc(F)cc1.
What is the InChIKey of 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is PTKBNYRKXZKJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-4-22(14(2)16-8-10-17(20)11-9-16)19(23)21-13-15-6-5-7-18(12-15)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,23).
What are the key properties of 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea?
1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 330.40 g/mol, XLogP of 4.13, 6 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-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 87037661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).