methyl N-(3-chloro-2-oxopropyl)-N-(3-methoxyphenyl)carbamate

C12H14ClNO4 — CID 125474358

IUPACmethyl N-(3-chloro-2-oxopropyl)-N-(3-methoxyphenyl)carbamate
SMILESCOC(=O)N(CC(=O)CCl)c1cccc(OC)c1
InChIInChI=1S/C12H14ClNO4/c1-17-11-5-3-4-9(6-11)14(12(16)18-2)8-10(15)7-13/h3-6H,7-8H2,1-2H3
InChIKeyUNVBARAOHZLYOE-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.08
Rot. Bonds5

About methyl N-(3-chloro-2-oxopropyl)-N-(3-methoxyphenyl)carbamate

methyl N-(3-chloro-2-oxopropyl)-N-(3-methoxyphenyl)carbamate (PubChem CID 125474358) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is methyl N-(3-chloro-2-oxopropyl)-N-(3-methoxyphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-chloro-2-oxopropyl)-N-(3-methoxyphenyl)carbamate
PubChem CID125474358
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Namemethyl N-(3-chloro-2-oxopropyl)-N-(3-methoxyphenyl)carbamate
SMILESCOC(=O)N(CC(=O)CCl)c1cccc(OC)c1
InChIInChI=1S/C12H14ClNO4/c1-17-11-5-3-4-9(6-11)14(12(16)18-2)8-10(15)7-13/h3-6H,7-8H2,1-2H3
InChIKeyUNVBARAOHZLYOE-UHFFFAOYSA-N
XLogP2.08
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl N-but-2-ynyl-N-(3-methoxyphenyl)carbamate
CID 11345314
methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
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CID 91413546
N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide
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3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
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2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
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methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
2-[N-(carboxymethyl)-3-methoxyanilino]acetic acid;2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 122452807
2-(N-acetyl-3-methoxyanilino)-N-(3-bromo-4-methylphenyl)acetamide
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2-(N-acetyl-3-methoxyanilino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113173418
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CID 113173369

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-chloro-2-oxopropyl)-N-(3-methoxyphenyl)carbamate?
The IUPAC name of methyl N-(3-chloro-2-oxopropyl)-N-(3-methoxyphenyl)carbamate (CID 125474358) is methyl N-(3-chloro-2-oxopropyl)-N-(3-methoxyphenyl)carbamate.
What is the SMILES notation for methyl N-(3-chloro-2-oxopropyl)-N-(3-methoxyphenyl)carbamate?
The canonical SMILES for methyl N-(3-chloro-2-oxopropyl)-N-(3-methoxyphenyl)carbamate is COC(=O)N(CC(=O)CCl)c1cccc(OC)c1.
What is the InChIKey of methyl N-(3-chloro-2-oxopropyl)-N-(3-methoxyphenyl)carbamate?
The InChIKey is UNVBARAOHZLYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-17-11-5-3-4-9(6-11)14(12(16)18-2)8-10(15)7-13/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl N-(3-chloro-2-oxopropyl)-N-(3-methoxyphenyl)carbamate?
methyl N-(3-chloro-2-oxopropyl)-N-(3-methoxyphenyl)carbamate has a molecular weight of 271.70 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-chloro-2-oxopropyl)-N-(3-methoxyphenyl)carbamate is sourced from PubChem (CID 125474358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).