(5-chloro-2,4-dimethylphenyl) carbamate

C9H10ClNO2 — CID 175535950

IUPAC(5-chloro-2,4-dimethylphenyl) carbamate
SMILESCc1cc(C)c(OC(N)=O)cc1Cl
InChIInChI=1S/C9H10ClNO2/c1-5-3-6(2)8(4-7(5)10)13-9(11)12/h3-4H,1-2H3,(H2,11,12)
InChIKeySDXORPCCNVBKMC-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.41
Rot. Bonds1

About (5-chloro-2,4-dimethylphenyl) carbamate

(5-chloro-2,4-dimethylphenyl) carbamate (PubChem CID 175535950) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is (5-chloro-2,4-dimethylphenyl) carbamate.

Molecular Properties

Compound Name(5-chloro-2,4-dimethylphenyl) carbamate
PubChem CID175535950
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name(5-chloro-2,4-dimethylphenyl) carbamate
SMILESCc1cc(C)c(OC(N)=O)cc1Cl
InChIInChI=1S/C9H10ClNO2/c1-5-3-6(2)8(4-7(5)10)13-9(11)12/h3-4H,1-2H3,(H2,11,12)
InChIKeySDXORPCCNVBKMC-UHFFFAOYSA-N
XLogP2.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Chloro-4-methylphenyl carbamate
CID 18431892
1-Chloro-5-methoxy-4-methyl-2-(trifluoromethyl)benzene
CID 57839387
[2-(3-Chlorophenyl)-4-(trifluoromethyl)phenyl] carbamate
CID 121375004
[2-(4-Chlorophenyl)-4-fluorophenyl] carbamate
CID 135389767
1-Chloro-5-methoxy-4-methyl-2-(trifluoromethyl)benzene;ethane
CID 144720403
[4-[4-Chloro-3-(trifluoromethyl)phenyl]phenyl] carbamate
CID 174676038
[2-[4-Chloro-3-(trifluoromethyl)phenyl]phenyl] carbamate
CID 174676039
(5-Chloro-2-fluoro-4-methylphenyl) carbamate
CID 175535903
(3-Chloro-2-fluoro-4-methylphenyl) carbamate
CID 175535920
(3-Chloro-5-fluoro-4-methylphenyl) carbamate
CID 175536019
(3-Chloro-2,6-difluoro-4-methylphenyl) carbamate
CID 175536071
3,5-Dichloro-2,4-dimethyl-1-methoxybenzene
CID 609391

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,4-dimethylphenyl) carbamate?
The IUPAC name of (5-chloro-2,4-dimethylphenyl) carbamate (CID 175535950) is (5-chloro-2,4-dimethylphenyl) carbamate.
What is the SMILES notation for (5-chloro-2,4-dimethylphenyl) carbamate?
The canonical SMILES for (5-chloro-2,4-dimethylphenyl) carbamate is Cc1cc(C)c(OC(N)=O)cc1Cl.
What is the InChIKey of (5-chloro-2,4-dimethylphenyl) carbamate?
The InChIKey is SDXORPCCNVBKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-5-3-6(2)8(4-7(5)10)13-9(11)12/h3-4H,1-2H3,(H2,11,12).
What are the key properties of (5-chloro-2,4-dimethylphenyl) carbamate?
(5-chloro-2,4-dimethylphenyl) carbamate has a molecular weight of 199.64 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,4-dimethylphenyl) carbamate is sourced from PubChem (CID 175535950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).