1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea

C20H23FN2O2 — CID 86999965

IUPAC1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1CCNC(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H23FN2O2/c1-25-19-5-3-2-4-16(19)12-13-22-20(24)23(18-10-11-18)14-15-6-8-17(21)9-7-15/h2-9,18H,10-14H2,1H3,(H,22,24)
InChIKeyNDFREHOBGZBSKJ-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.75
Rot. Bonds7

About 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea

1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea (PubChem CID 86999965) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
PubChem CID86999965
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1CCNC(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H23FN2O2/c1-25-19-5-3-2-4-16(19)12-13-22-20(24)23(18-10-11-18)14-15-6-8-17(21)9-7-15/h2-9,18H,10-14H2,1H3,(H,22,24)
InChIKeyNDFREHOBGZBSKJ-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964149
1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108899906
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 113197369
1-[2-(4-fluorophenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111230762
2-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 43003184
2-(4-fluorophenyl)-N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]acetamide
CID 112983523
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 79282506
2-[cyclopropyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid
CID 122100801
3-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-cyclopropyl-1-[(4-fluorophenyl)methyl]urea
CID 52658460
1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea
CID 39977410
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea (CID 86999965) is 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea is COc1ccccc1CCNC(=O)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is NDFREHOBGZBSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-25-19-5-3-2-4-16(19)12-13-22-20(24)23(18-10-11-18)14-15-6-8-17(21)9-7-15/h2-9,18H,10-14H2,1H3,(H,22,24).
What are the key properties of 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 342.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 86999965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).