1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea

C18H21ClN2O2 — CID 99872943

IUPAC1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea
SMILESO=C(NCC[C@@H](CCO)c1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O2/c19-16-8-4-5-9-17(16)21-18(23)20-12-10-15(11-13-22)14-6-2-1-3-7-14/h1-9,15,22H,10-13H2,(H2,20,21,23)/t15-/m0/s1
InChIKeyKKKYQESQOPBNEB-HNNXBMFYSA-N
MW332.83 g/mol
LogP4.02
Rot. Bonds7

About 1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea

1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea (PubChem CID 99872943) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea
PubChem CID99872943
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea
SMILESO=C(NCC[C@@H](CCO)c1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O2/c19-16-8-4-5-9-17(16)21-18(23)20-12-10-15(11-13-22)14-6-2-1-3-7-14/h1-9,15,22H,10-13H2,(H2,20,21,23)/t15-/m0/s1
InChIKeyKKKYQESQOPBNEB-HNNXBMFYSA-N
XLogP4.02
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
CID 99872819
(2S)-4-[(2-chlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114006714
1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112411
1-(3-chloro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453246
N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide
CID 99872804
1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea
CID 63120342
1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
CID 4586942
4-[(2-chlorophenyl)carbamoylamino]butanoic acid
CID 28511695
N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide
CID 47103341
1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
CID 99981751
1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386
1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112417

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea (CID 99872943) is 1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea is O=C(NCC[C@@H](CCO)c1ccccc1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea?
The InChIKey is KKKYQESQOPBNEB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c19-16-8-4-5-9-17(16)21-18(23)20-12-10-15(11-13-22)14-6-2-1-3-7-14/h1-9,15,22H,10-13H2,(H2,20,21,23)/t15-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea?
1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea has a molecular weight of 332.83 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea is sourced from PubChem (CID 99872943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).