propan-2-yl N-(3,4-dichlorophenyl)carbamate

C10H11Cl2NO2 — CID 16520

IUPACpropan-2-yl N-(3,4-dichlorophenyl)carbamate
SMILESCC(C)OC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO2/c1-6(2)15-10(14)13-7-3-4-8(11)9(12)5-7/h3-6H,1-2H3,(H,13,14)
InChIKeyNLBTXMFJUAESAC-UHFFFAOYSA-N
MW248.11 g/mol
LogP3.95
Rot. Bonds2

About propan-2-yl N-(3,4-dichlorophenyl)carbamate

propan-2-yl N-(3,4-dichlorophenyl)carbamate (PubChem CID 16520) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is propan-2-yl N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3,4-dichlorophenyl)carbamate
PubChem CID16520
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Namepropan-2-yl N-(3,4-dichlorophenyl)carbamate
SMILESCC(C)OC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO2/c1-6(2)15-10(14)13-7-3-4-8(11)9(12)5-7/h3-6H,1-2H3,(H,13,14)
InChIKeyNLBTXMFJUAESAC-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Propanil
CID 4933
Barban
CID 7551
Chlorbufam
CID 16073
Chlorpropham
CID 2728
methyl N-(3,4-dichlorophenyl)carbamate
CID 15969
4-((((3-Chlorophenyl)amino)carbonyl)oxy)-N,N,N-trimethyl-2-butyn-1-aminium chloride (1:1)
CID 5926
Isopropyl N-4-chlorophenylcarbamate
CID 16712
3,4-Dichloroacetanilide
CID 16530
Carbamic acid, N-(4-chlorophenyl)-, ethyl ester
CID 17496
N-(3,4-Dichlorophenyl)-N'-methoxyurea
CID 12441890
Carbanilic acid, m-chloro-, allyl ester
CID 32780
Methyl N-(3-chlorophenyl)carbamate
CID 16529

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of propan-2-yl N-(3,4-dichlorophenyl)carbamate (CID 16520) is propan-2-yl N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for propan-2-yl N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for propan-2-yl N-(3,4-dichlorophenyl)carbamate is CC(C)OC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of propan-2-yl N-(3,4-dichlorophenyl)carbamate?
The InChIKey is NLBTXMFJUAESAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c1-6(2)15-10(14)13-7-3-4-8(11)9(12)5-7/h3-6H,1-2H3,(H,13,14).
What are the key properties of propan-2-yl N-(3,4-dichlorophenyl)carbamate?
propan-2-yl N-(3,4-dichlorophenyl)carbamate has a molecular weight of 248.11 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 16520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).