(4-chlorophenyl)methyl N,N-diethylcarbamate

C12H16ClNO2 — CID 13392255

IUPAC(4-chlorophenyl)methyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKeyKDVCRLNFFCGHCV-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.32
Rot. Bonds4

About (4-chlorophenyl)methyl N,N-diethylcarbamate

(4-chlorophenyl)methyl N,N-diethylcarbamate (PubChem CID 13392255) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (4-chlorophenyl)methyl N,N-diethylcarbamate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl N,N-diethylcarbamate
PubChem CID13392255
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(4-chlorophenyl)methyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKeyKDVCRLNFFCGHCV-UHFFFAOYSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl 3-pyrroline-1-carboxylate
CID 643471
N-[4-[(4-chlorophenyl)methoxy]but-2-ynyl]-N-ethylheptan-1-amine
CID 72793447
N-Cbz-N,N-bis(2-chloroethyl)amine
CID 12553191
N-butyl-4-[(4-chlorophenyl)methoxy]-N-ethylbut-2-yn-1-amine
CID 72793446
Benzyl diethylcarbamate
CID 10262437
Carbamic acid, (2-(diethylamino)ethyl)-, o-chlorobenzyl ester, monohydrochloride
CID 58427
Carbamic acid, (2-(diethylamino)ethyl)-, p-chlorobenzyl ester, monohydrochloride
CID 58429
1-(4-Chlorophenyl)-3-(dimethylamino)propyl hydrogen carbonimidate
CID 13103190
Benzyl 5-methyl-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 118388619
4-Chlorobenzyl carbamate
CID 13433129
Carbamic acid, bis(1-methylethyl)-, phenylmethyl ester
CID 11053622
Phenylmethyl N,N-di-2-propen-1-ylcarbamate
CID 11470283

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl N,N-diethylcarbamate?
The IUPAC name of (4-chlorophenyl)methyl N,N-diethylcarbamate (CID 13392255) is (4-chlorophenyl)methyl N,N-diethylcarbamate.
What is the SMILES notation for (4-chlorophenyl)methyl N,N-diethylcarbamate?
The canonical SMILES for (4-chlorophenyl)methyl N,N-diethylcarbamate is CCN(CC)C(=O)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl N,N-diethylcarbamate?
The InChIKey is KDVCRLNFFCGHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3.
What are the key properties of (4-chlorophenyl)methyl N,N-diethylcarbamate?
(4-chlorophenyl)methyl N,N-diethylcarbamate has a molecular weight of 241.72 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl N,N-diethylcarbamate is sourced from PubChem (CID 13392255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).