3-[2-(4-chlorophenyl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

C16H23ClN2O2 — CID 110901023

IUPAC3-[2-(4-chlorophenyl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESCC(C)(CNC(=O)N(CCO)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-16(2,12-3-5-13(17)6-4-12)11-18-15(21)19(9-10-20)14-7-8-14/h3-6,14,20H,7-11H2,1-2H3,(H,18,21)
InChIKeyKDPXIXDIZAQTLU-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.78
Rot. Bonds6

About 3-[2-(4-chlorophenyl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

3-[2-(4-chlorophenyl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (PubChem CID 110901023) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
PubChem CID110901023
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name3-[2-(4-chlorophenyl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESCC(C)(CNC(=O)N(CCO)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-16(2,12-3-5-13(17)6-4-12)11-18-15(21)19(9-10-20)14-7-8-14/h3-6,14,20H,7-11H2,1-2H3,(H,18,21)
InChIKeyKDPXIXDIZAQTLU-UHFFFAOYSA-N
XLogP2.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea
CID 110913086
3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea
CID 60547202
3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110923423
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110895460
N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methylpyrrolidine-1-carboxamide
CID 86880870
[[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol
CID 115229593
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
CID 115167558
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 110460951
N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide
CID 119297349
3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide
CID 110480800
2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43576750
methyl 2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142659

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[2-(4-chlorophenyl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (CID 110901023) is 3-[2-(4-chlorophenyl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[2-(4-chlorophenyl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is CC(C)(CNC(=O)N(CCO)C1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The InChIKey is KDPXIXDIZAQTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-16(2,12-3-5-13(17)6-4-12)11-18-15(21)19(9-10-20)14-7-8-14/h3-6,14,20H,7-11H2,1-2H3,(H,18,21).
What are the key properties of 3-[2-(4-chlorophenyl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
3-[2-(4-chlorophenyl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea has a molecular weight of 310.82 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110901023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).