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

C22H27FN2O2 — CID 86940449

IUPAC1-(cyclopropylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]urea
SMILESCCN(CC1CC1)C(=O)NC(Cc1ccc(F)cc1)c1ccc(OC)cc1
InChIInChI=1S/C22H27FN2O2/c1-3-25(15-17-4-5-17)22(26)24-21(14-16-6-10-19(23)11-7-16)18-8-12-20(27-2)13-9-18/h6-13,17,21H,3-5,14-15H2,1-2H3,(H,24,26)
InChIKeyUYWRLEPCRKGTFZ-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.56
Rot. Bonds8

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

1-(cyclopropylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]urea (PubChem CID 86940449) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]urea
PubChem CID86940449
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name1-(cyclopropylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]urea
SMILESCCN(CC1CC1)C(=O)NC(Cc1ccc(F)cc1)c1ccc(OC)cc1
InChIInChI=1S/C22H27FN2O2/c1-3-25(15-17-4-5-17)22(26)24-21(14-16-6-10-19(23)11-7-16)18-8-12-20(27-2)13-9-18/h6-13,17,21H,3-5,14-15H2,1-2H3,(H,24,26)
InChIKeyUYWRLEPCRKGTFZ-UHFFFAOYSA-N
XLogP4.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
(2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306372
3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306374
(3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 95267023
4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 120561463
N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 119754107
N-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide
CID 97000116
N-[1-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide
CID 22261959
N-(2,5-dimethylpyrazol-3-yl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide
CID 97068333
1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea
CID 115598127
N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide
CID 43060292
1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 46776533

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]urea (CID 86940449) is 1-(cyclopropylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]urea is CCN(CC1CC1)C(=O)NC(Cc1ccc(F)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]urea?
The InChIKey is UYWRLEPCRKGTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-3-25(15-17-4-5-17)22(26)24-21(14-16-6-10-19(23)11-7-16)18-8-12-20(27-2)13-9-18/h6-13,17,21H,3-5,14-15H2,1-2H3,(H,24,26).
What are the key properties of 1-(cyclopropylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]urea?
1-(cyclopropylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]urea has a molecular weight of 370.47 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 86940449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).