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

C15H21ClN2O3 — CID 124865728

IUPAC1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[(1R,2R)-2-hydroxycyclopentyl]urea
SMILESCO[C@H](CNC(=O)N[C@@H]1CCC[C@H]1O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3/c1-21-14(10-5-7-11(16)8-6-10)9-17-15(20)18-12-3-2-4-13(12)19/h5-8,12-14,19H,2-4,9H2,1H3,(H2,17,18,20)/t12-,13-,14-/m1/s1
InChIKeyCGORMDZAJUXVCI-MGPQQGTHSA-N
MW312.80 g/mol
LogP2.24
Rot. Bonds5

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

1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[(1R,2R)-2-hydroxycyclopentyl]urea (PubChem CID 124865728) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[(1R,2R)-2-hydroxycyclopentyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[(1R,2R)-2-hydroxycyclopentyl]urea
PubChem CID124865728
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[(1R,2R)-2-hydroxycyclopentyl]urea
SMILESCO[C@H](CNC(=O)N[C@@H]1CCC[C@H]1O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3/c1-21-14(10-5-7-11(16)8-6-10)9-17-15(20)18-12-3-2-4-13(12)19/h5-8,12-14,19H,2-4,9H2,1H3,(H2,17,18,20)/t12-,13-,14-/m1/s1
InChIKeyCGORMDZAJUXVCI-MGPQQGTHSA-N
XLogP2.24
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea
CID 95967673
1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
CID 40546318
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-hydroxycyclopentyl)benzamide
CID 14967652
2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide
CID 120990898
1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea
CID 111508697
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea
CID 14458365
5-[[2-(4-chlorophenyl)-2-methoxyethyl]carbamoyl]-1-methylpyrrole-2-carboxylic acid
CID 166275116
methyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-carboxylate
CID 95637616
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea
CID 121180382

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[(1R,2R)-2-hydroxycyclopentyl]urea?
The IUPAC name of 1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[(1R,2R)-2-hydroxycyclopentyl]urea (CID 124865728) is 1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[(1R,2R)-2-hydroxycyclopentyl]urea.
What is the SMILES notation for 1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[(1R,2R)-2-hydroxycyclopentyl]urea?
The canonical SMILES for 1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[(1R,2R)-2-hydroxycyclopentyl]urea is CO[C@H](CNC(=O)N[C@@H]1CCC[C@H]1O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[(1R,2R)-2-hydroxycyclopentyl]urea?
The InChIKey is CGORMDZAJUXVCI-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-21-14(10-5-7-11(16)8-6-10)9-17-15(20)18-12-3-2-4-13(12)19/h5-8,12-14,19H,2-4,9H2,1H3,(H2,17,18,20)/t12-,13-,14-/m1/s1.
What are the key properties of 1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[(1R,2R)-2-hydroxycyclopentyl]urea?
1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[(1R,2R)-2-hydroxycyclopentyl]urea has a molecular weight of 312.80 g/mol, XLogP of 2.24, 5 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-[(1R,2R)-2-hydroxycyclopentyl]urea is sourced from PubChem (CID 124865728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).