1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea

C16H23ClN2O3 — CID 95967673

IUPAC1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea
SMILESCO[C@H](CNC(=O)NC[C@@H]1CCC[C@@H]1O)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3/c1-22-15(11-5-7-13(17)8-6-11)10-19-16(21)18-9-12-3-2-4-14(12)20/h5-8,12,14-15,20H,2-4,9-10H2,1H3,(H2,18,19,21)/t12-,14-,15+/m0/s1
InChIKeyPQLKKYNKMMVOSF-AEGPPILISA-N
MW326.82 g/mol
LogP2.49
Rot. Bonds6

About 1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea

1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea (PubChem CID 95967673) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea
PubChem CID95967673
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea
SMILESCO[C@H](CNC(=O)NC[C@@H]1CCC[C@@H]1O)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3/c1-22-15(11-5-7-13(17)8-6-11)10-19-16(21)18-9-12-3-2-4-14(12)20/h5-8,12,14-15,20H,2-4,9-10H2,1H3,(H2,18,19,21)/t12-,14-,15+/m0/s1
InChIKeyPQLKKYNKMMVOSF-AEGPPILISA-N
XLogP2.49
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea with MolForge

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Related Compounds

1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[(1R,2R)-2-hydroxycyclopentyl]urea
CID 124865728
2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide
CID 120990898
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride
CID 170913337
trans-(1S,2S)-2-[[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119144
3-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide
CID 119803119
1-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334765
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
1-[(2-hydroxycyclopentyl)methyl]-3-(2-thiophen-2-ylpropyl)urea
CID 71868184
1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
CID 103709987
1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
CID 71992522
N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide
CID 64929493
1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 96566001

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea?
The IUPAC name of 1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea (CID 95967673) is 1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea.
What is the SMILES notation for 1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea?
The canonical SMILES for 1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea is CO[C@H](CNC(=O)NC[C@@H]1CCC[C@@H]1O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea?
The InChIKey is PQLKKYNKMMVOSF-AEGPPILISA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-22-15(11-5-7-13(17)8-6-11)10-19-16(21)18-9-12-3-2-4-14(12)20/h5-8,12,14-15,20H,2-4,9-10H2,1H3,(H2,18,19,21)/t12-,14-,15+/m0/s1.
What are the key properties of 1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea?
1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea has a molecular weight of 326.82 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea is sourced from PubChem (CID 95967673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).