N-(4-chloro-2-methylphenyl)-N-ethylcarbamate

C10H11ClNO2- — CID 57352737

IUPACN-(4-chloro-2-methylphenyl)-N-ethylcarbamate
SMILESCCN(C(=O)[O-])c1ccc(Cl)cc1C
InChIInChI=1S/C10H12ClNO2/c1-3-12(10(13)14)9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3,(H,13,14)/p-1
InChIKeyPSRJYTAZZXJOOZ-UHFFFAOYSA-M
MW212.66 g/mol
LogP1.82
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-N-ethylcarbamate

N-(4-chloro-2-methylphenyl)-N-ethylcarbamate (PubChem CID 57352737) has the molecular formula C10H11ClNO2- and a molecular weight of 212.66 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N-ethylcarbamate.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N-ethylcarbamate
PubChem CID57352737
Molecular FormulaC10H11ClNO2-
Molecular Weight212.66 g/mol
Exact Mass212.05
IUPAC NameN-(4-chloro-2-methylphenyl)-N-ethylcarbamate
SMILESCCN(C(=O)[O-])c1ccc(Cl)cc1C
InChIInChI=1S/C10H12ClNO2/c1-3-12(10(13)14)9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3,(H,13,14)/p-1
InChIKeyPSRJYTAZZXJOOZ-UHFFFAOYSA-M
XLogP1.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-N-ethylcarbamate
CID 57353487
4-chloro-N,N-diethyl-2-methylaniline
CID 57028815
2-(4-chloro-N-ethyl-2-methylanilino)acetic acid
CID 83560488
(4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid
CID 69481778
2-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172103
N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide
CID 39443973
2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide
CID 131561562
3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide
CID 113127871
ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate
CID 113059937
2-amino-N-(2,4-dichlorophenyl)-N-ethylacetamide
CID 28794920
2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide
CID 113172064
3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide
CID 113127866

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N-ethylcarbamate?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N-ethylcarbamate (CID 57352737) is N-(4-chloro-2-methylphenyl)-N-ethylcarbamate.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N-ethylcarbamate?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N-ethylcarbamate is CCN(C(=O)[O-])c1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N-ethylcarbamate?
The InChIKey is PSRJYTAZZXJOOZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12ClNO2/c1-3-12(10(13)14)9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3,(H,13,14)/p-1.
What are the key properties of N-(4-chloro-2-methylphenyl)-N-ethylcarbamate?
N-(4-chloro-2-methylphenyl)-N-ethylcarbamate has a molecular weight of 212.66 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-N-ethylcarbamate is sourced from PubChem (CID 57352737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).