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

C15H23ClN2O2 — CID 110909987

IUPAC1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
SMILESCC(C)CC(O)CNC(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-10(2)7-14(19)9-17-15(20)18-11(3)12-5-4-6-13(16)8-12/h4-6,8,10-11,14,19H,7,9H2,1-3H3,(H2,17,18,20)
InChIKeyCIWSRYFVEKBHJA-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.11
Rot. Bonds6

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

1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea (PubChem CID 110909987) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
PubChem CID110909987
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
SMILESCC(C)CC(O)CNC(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-10(2)7-14(19)9-17-15(20)18-11(3)12-5-4-6-13(16)8-12/h4-6,8,10-11,14,19H,7,9H2,1-3H3,(H2,17,18,20)
InChIKeyCIWSRYFVEKBHJA-UHFFFAOYSA-N
XLogP3.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111337805
1-[1-(3-chlorophenyl)ethyl]-3-(2,2-dimethylpropyl)urea
CID 112839734
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
2-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]pentanoic acid
CID 65221198
1-benzyl-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
CID 27533669
1-[1-(3-chlorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47134201
1-[1-(3-chlorophenyl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437923
1-[1-(3-chlorophenyl)ethyl]-3-pentan-2-ylurea
CID 42952666
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
4-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]-N-methylbenzamide
CID 134006337
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 51944133
(E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide
CID 103771519

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea (CID 110909987) is 1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea is CC(C)CC(O)CNC(=O)NC(C)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea?
The InChIKey is CIWSRYFVEKBHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-10(2)7-14(19)9-17-15(20)18-11(3)12-5-4-6-13(16)8-12/h4-6,8,10-11,14,19H,7,9H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea?
1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea has a molecular weight of 298.81 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea is sourced from PubChem (CID 110909987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).