1-[1-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)urea

C15H23ClN2O2 — CID 111414339

IUPAC1-[1-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NC(c1ccccc1Cl)C(C)C
InChIInChI=1S/C15H23ClN2O2/c1-10(2)14(12-6-4-5-7-13(12)16)18-15(20)17-9-8-11(3)19/h4-7,10-11,14,19H,8-9H2,1-3H3,(H2,17,18,20)
InChIKeyUWRXZMRATWXOJB-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.11
Rot. Bonds6

About 1-[1-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)urea

1-[1-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)urea (PubChem CID 111414339) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)urea
PubChem CID111414339
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-[1-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NC(c1ccccc1Cl)C(C)C
InChIInChI=1S/C15H23ClN2O2/c1-10(2)14(12-6-4-5-7-13(12)16)18-15(20)17-9-8-11(3)19/h4-7,10-11,14,19H,8-9H2,1-3H3,(H2,17,18,20)
InChIKeyUWRXZMRATWXOJB-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-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836525
1-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836526
4-[[1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]butanoic acid
CID 122002394
(2R)-2-[[(1R)-1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
CID 124844009
1-[1-(2-chlorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71856881
2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119327061
1-(2-hydroxyethyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea
CID 111118152
4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]butanamide
CID 94157556
4-[[(1S)-1-(2-chlorophenyl)ethyl]carbamoylamino]butanoic acid
CID 122015571
N-[1-(2-chlorophenyl)-2-methylpropyl]-3-ethylsulfanylpropanamide
CID 86954292
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(3-hydroxybutyl)urea
CID 111337234

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-[1-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)urea (CID 111414339) is 1-[1-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-[1-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)NC(c1ccccc1Cl)C(C)C.
What is the InChIKey of 1-[1-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)urea?
The InChIKey is UWRXZMRATWXOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-10(2)14(12-6-4-5-7-13(12)16)18-15(20)17-9-8-11(3)19/h4-7,10-11,14,19H,8-9H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[1-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)urea?
1-[1-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)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-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111414339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).