1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea

C14H21ClN2O2 — CID 99836525

IUPAC1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea
SMILESCC(C)[C@@H](NC(=O)NC[C@@H](C)O)c1ccccc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-9(2)13(11-6-4-5-7-12(11)15)17-14(19)16-8-10(3)18/h4-7,9-10,13,18H,8H2,1-3H3,(H2,16,17,19)/t10-,13-/m1/s1
InChIKeyIFKOAGAKRCWELT-ZWNOBZJWSA-N
MW284.79 g/mol
LogP2.72
Rot. Bonds5

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

1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea (PubChem CID 99836525) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea
PubChem CID99836525
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea
SMILESCC(C)[C@@H](NC(=O)NC[C@@H](C)O)c1ccccc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-9(2)13(11-6-4-5-7-12(11)15)17-14(19)16-8-10(3)18/h4-7,9-10,13,18H,8H2,1-3H3,(H2,16,17,19)/t10-,13-/m1/s1
InChIKeyIFKOAGAKRCWELT-ZWNOBZJWSA-N
XLogP2.72
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836526
1-[1-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)urea
CID 111414339
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
2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119327061
1-[1-(2-chlorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71856881
1-(2-hydroxyethyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea
CID 111118152
N-[1-(2-chlorophenyl)-2-methylpropyl]-3-ethylsulfanylpropanamide
CID 86954292
(2R)-1-[1-(2-chlorophenyl)ethylamino]propan-2-ol
CID 103906814
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-4-methylpentan-2-yl)urea
CID 111482842
3-[1-(2-chlorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106109901
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea
CID 111506259

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea?
The IUPAC name of 1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea (CID 99836525) is 1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea?
The canonical SMILES for 1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea is CC(C)[C@@H](NC(=O)NC[C@@H](C)O)c1ccccc1Cl.
What is the InChIKey of 1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea?
The InChIKey is IFKOAGAKRCWELT-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-9(2)13(11-6-4-5-7-12(11)15)17-14(19)16-8-10(3)18/h4-7,9-10,13,18H,8H2,1-3H3,(H2,16,17,19)/t10-,13-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea?
1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea has a molecular weight of 284.79 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea is sourced from PubChem (CID 99836525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).