methyl N-(3-chlorophenyl)carbamate

C8H8ClNO2 — CID 16529

IUPACmethyl N-(3-chlorophenyl)carbamate
SMILESCOC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C8H8ClNO2/c1-12-8(11)10-7-4-2-3-6(9)5-7/h2-5H,1H3,(H,10,11)
InChIKeySEPMCAVKHUPSMA-UHFFFAOYSA-N
MW185.61 g/mol
LogP2.52
Rot. Bonds1

About methyl N-(3-chlorophenyl)carbamate

methyl N-(3-chlorophenyl)carbamate (PubChem CID 16529) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is methyl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-chlorophenyl)carbamate
PubChem CID16529
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Namemethyl N-(3-chlorophenyl)carbamate
SMILESCOC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C8H8ClNO2/c1-12-8(11)10-7-4-2-3-6(9)5-7/h2-5H,1H3,(H,10,11)
InChIKeySEPMCAVKHUPSMA-UHFFFAOYSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dichloroethenyl N-(3-chlorophenyl)carbamate
CID 14150192
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate
CID 104854030
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N-(3-chlorophenyl)-1-methylphosphanylformamide
CID 138970843
1-(3-chlorophenyl)-3-(methoxymethoxy)urea
CID 110495475
2-chloro-N-(3-chlorophenyl)-3-methoxybenzamide
CID 45051393
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
methyl N-[(1S)-2,2,2-trichloro-1-[(3-chlorophenyl)carbamothioylamino]ethyl]carbamate
CID 2308955
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
2-(propylamino)ethyl N-(3-chlorophenyl)carbamate
CID 79337718

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-chlorophenyl)carbamate?
The IUPAC name of methyl N-(3-chlorophenyl)carbamate (CID 16529) is methyl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for methyl N-(3-chlorophenyl)carbamate?
The canonical SMILES for methyl N-(3-chlorophenyl)carbamate is COC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of methyl N-(3-chlorophenyl)carbamate?
The InChIKey is SEPMCAVKHUPSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-12-8(11)10-7-4-2-3-6(9)5-7/h2-5H,1H3,(H,10,11).
What are the key properties of methyl N-(3-chlorophenyl)carbamate?
methyl N-(3-chlorophenyl)carbamate has a molecular weight of 185.61 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 16529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).