ethyl N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]carbamate

C11H12ClNO4 — CID 34256262

IUPACethyl N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]carbamate
SMILESCCOC(=O)N[C@H](O)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO4/c1-2-17-11(16)13-10(15)9(14)7-3-5-8(12)6-4-7/h3-6,10,15H,2H2,1H3,(H,13,16)/t10-/m1/s1
InChIKeyDUTQBHNSHVEXMT-SNVBAGLBSA-N
MW257.67 g/mol
LogP1.59
Rot. Bonds4

About ethyl N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]carbamate

ethyl N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]carbamate (PubChem CID 34256262) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is ethyl N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]carbamate
PubChem CID34256262
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Nameethyl N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]carbamate
SMILESCCOC(=O)N[C@H](O)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO4/c1-2-17-11(16)13-10(15)9(14)7-3-5-8(12)6-4-7/h3-6,10,15H,2H2,1H3,(H,13,16)/t10-/m1/s1
InChIKeyDUTQBHNSHVEXMT-SNVBAGLBSA-N
XLogP1.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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ethyl 2-(4-chlorobenzoyl)-3-oxobutanoate
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ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate
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4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide
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4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide
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benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
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ethyl N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]carbamate?
The IUPAC name of ethyl N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]carbamate (CID 34256262) is ethyl N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]carbamate.
What is the SMILES notation for ethyl N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]carbamate?
The canonical SMILES for ethyl N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]carbamate is CCOC(=O)N[C@H](O)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]carbamate?
The InChIKey is DUTQBHNSHVEXMT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-2-17-11(16)13-10(15)9(14)7-3-5-8(12)6-4-7/h3-6,10,15H,2H2,1H3,(H,13,16)/t10-/m1/s1.
What are the key properties of ethyl N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]carbamate?
ethyl N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]carbamate has a molecular weight of 257.67 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]carbamate is sourced from PubChem (CID 34256262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).