(4-chlorophenyl)methyl carbamate

C8H8ClNO2 — CID 13433129

IUPAC(4-chlorophenyl)methyl carbamate
SMILESNC(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO2/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKeyHIIOEWGKFCWTJU-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.94
Rot. Bonds2

About (4-chlorophenyl)methyl carbamate

(4-chlorophenyl)methyl carbamate (PubChem CID 13433129) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is (4-chlorophenyl)methyl carbamate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl carbamate
PubChem CID13433129
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name(4-chlorophenyl)methyl carbamate
SMILESNC(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO2/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKeyHIIOEWGKFCWTJU-UHFFFAOYSA-N
XLogP1.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl hydroxycarbamate
CID 18907
Dichlormate
CID 16072
Benzyl carbamate
CID 12136
1-(4-Chlorophenyl)-1-phenyl-2-propynylcarbamate
CID 25301
Benzenemethanol, 4-chloro-, 1-acetate
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4-Chlorobenzaldehyde dimethyl acetal
CID 520661
Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate
CID 12843
1-(2-Chlorophenyl)propyl hydrogen carbonimidate
CID 15534
1-Phenylprop-2-en-1-yl hydrogen carbonimidate
CID 3056714
2-Chlorobenzyl chloroformate
CID 4072342
Di-p-chlorobenzyl Azodicarboxylate(DCAD)
CID 11990352
1-Chloro-4-(trimethoxymethyl)benzene
CID 12287601

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl carbamate?
The IUPAC name of (4-chlorophenyl)methyl carbamate (CID 13433129) is (4-chlorophenyl)methyl carbamate.
What is the SMILES notation for (4-chlorophenyl)methyl carbamate?
The canonical SMILES for (4-chlorophenyl)methyl carbamate is NC(=O)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl carbamate?
The InChIKey is HIIOEWGKFCWTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5H2,(H2,10,11).
What are the key properties of (4-chlorophenyl)methyl carbamate?
(4-chlorophenyl)methyl carbamate has a molecular weight of 185.61 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl carbamate is sourced from PubChem (CID 13433129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).