1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2-methylpentyl)urea

C17H25ClN2O2 — CID 111455174

IUPAC1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2-methylpentyl)urea
SMILESCC(O)CC(C)CNC(=O)NCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2O2/c1-12(9-13(2)21)10-19-16(22)20-11-17(7-8-17)14-3-5-15(18)6-4-14/h3-6,12-13,21H,7-11H2,1-2H3,(H2,19,20,22)
InChIKeyPGPNIIDLNSVFQG-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.08
Rot. Bonds7

About 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2-methylpentyl)urea

1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2-methylpentyl)urea (PubChem CID 111455174) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2-methylpentyl)urea.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2-methylpentyl)urea
PubChem CID111455174
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2-methylpentyl)urea
SMILESCC(O)CC(C)CNC(=O)NCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2O2/c1-12(9-13(2)21)10-19-16(22)20-11-17(7-8-17)14-3-5-15(18)6-4-14/h3-6,12-13,21H,7-11H2,1-2H3,(H2,19,20,22)
InChIKeyPGPNIIDLNSVFQG-UHFFFAOYSA-N
XLogP3.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2-methylpentyl)urea with MolForge

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Related Compounds

1-[2-(4-chlorophenoxy)propyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111509009
1-[2-(4-chlorophenyl)sulfanylethyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111454087
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
CID 113090728
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea
CID 111337214
2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride
CID 119772688
1-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317240
(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide
CID 118786770
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 113214456
4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide
CID 111447249
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110896199
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-piperidin-1-ylphenyl)urea
CID 113214541
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95179302

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2-methylpentyl)urea?
The IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2-methylpentyl)urea (CID 111455174) is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2-methylpentyl)urea.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2-methylpentyl)urea?
The canonical SMILES for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2-methylpentyl)urea is CC(O)CC(C)CNC(=O)NCC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2-methylpentyl)urea?
The InChIKey is PGPNIIDLNSVFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-12(9-13(2)21)10-19-16(22)20-11-17(7-8-17)14-3-5-15(18)6-4-14/h3-6,12-13,21H,7-11H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2-methylpentyl)urea?
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2-methylpentyl)urea has a molecular weight of 324.85 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2-methylpentyl)urea is sourced from PubChem (CID 111455174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).