prop-2-ynyl N-(2,4-dichlorophenyl)carbamate

C10H7Cl2NO2 — CID 534035

IUPACprop-2-ynyl N-(2,4-dichlorophenyl)carbamate
SMILESC#CCOC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2NO2/c1-2-5-15-10(14)13-9-4-3-7(11)6-8(9)12/h1,3-4,6H,5H2,(H,13,14)
InChIKeyKWHPHVVVXTYHLS-UHFFFAOYSA-N
MW244.08 g/mol
LogP3.18
Rot. Bonds2

About prop-2-ynyl N-(2,4-dichlorophenyl)carbamate

prop-2-ynyl N-(2,4-dichlorophenyl)carbamate (PubChem CID 534035) has the molecular formula C10H7Cl2NO2 and a molecular weight of 244.08 g/mol. Its IUPAC name is prop-2-ynyl N-(2,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Nameprop-2-ynyl N-(2,4-dichlorophenyl)carbamate
PubChem CID534035
Molecular FormulaC10H7Cl2NO2
Molecular Weight244.08 g/mol
Exact Mass242.99
IUPAC Nameprop-2-ynyl N-(2,4-dichlorophenyl)carbamate
SMILESC#CCOC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2NO2/c1-2-5-15-10(14)13-9-4-3-7(11)6-8(9)12/h1,3-4,6H,5H2,(H,13,14)
InChIKeyKWHPHVVVXTYHLS-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromoethyl N-(2,4-dichlorophenyl)carbamate
CID 4092025
(2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate
CID 4086863
prop-2-ynyl N-(2-ethylphenyl)carbamate
CID 91733300
N-(2,4-dichlorophenyl)propanamide
CID 923083
1,3-benzodioxol-5-ylmethyl N-(2,4-dichlorophenyl)carbamate
CID 5225250
2-cyano-N-(2,4-dichlorophenyl)acetamide
CID 693146
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
prop-2-ynyl 3-(2,4-dichlorophenoxy)prop-2-enoate
CID 3016818
2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate
CID 79346256

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N-(2,4-dichlorophenyl)carbamate?
The IUPAC name of prop-2-ynyl N-(2,4-dichlorophenyl)carbamate (CID 534035) is prop-2-ynyl N-(2,4-dichlorophenyl)carbamate.
What is the SMILES notation for prop-2-ynyl N-(2,4-dichlorophenyl)carbamate?
The canonical SMILES for prop-2-ynyl N-(2,4-dichlorophenyl)carbamate is C#CCOC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of prop-2-ynyl N-(2,4-dichlorophenyl)carbamate?
The InChIKey is KWHPHVVVXTYHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2/c1-2-5-15-10(14)13-9-4-3-7(11)6-8(9)12/h1,3-4,6H,5H2,(H,13,14).
What are the key properties of prop-2-ynyl N-(2,4-dichlorophenyl)carbamate?
prop-2-ynyl N-(2,4-dichlorophenyl)carbamate has a molecular weight of 244.08 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N-(2,4-dichlorophenyl)carbamate is sourced from PubChem (CID 534035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).