3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate

C10H7ClINO2 — CID 14229860

IUPAC3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OCC#CI
InChIInChI=1S/C10H7ClINO2/c11-8-3-1-4-9(7-8)13-10(14)15-6-2-5-12/h1,3-4,7H,6H2,(H,13,14)
InChIKeyHCNZICNSKVOGSK-UHFFFAOYSA-N
MW335.53 g/mol
LogP3.28
Rot. Bonds2

About 3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate

3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate (PubChem CID 14229860) has the molecular formula C10H7ClINO2 and a molecular weight of 335.53 g/mol. Its IUPAC name is 3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate
PubChem CID14229860
Molecular FormulaC10H7ClINO2
Molecular Weight335.53 g/mol
Exact Mass334.92
IUPAC Name3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OCC#CI
InChIInChI=1S/C10H7ClINO2/c11-8-3-1-4-9(7-8)13-10(14)15-6-2-5-12/h1,3-4,7H,6H2,(H,13,14)
InChIKeyHCNZICNSKVOGSK-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate
CID 68619895
sodium;4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate;hydride
CID 173150654
CID 67880858
CID 67880858
methyl N-(3-chlorophenyl)carbamate
CID 16529
4-chlorobutyl N-(3-chlorophenyl)carbamate
CID 112683015
[3-chloro-2,2-bis(chloromethyl)propyl] N-(3-chlorophenyl)carbamate
CID 819742
2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate
CID 71675480
2-(propylamino)ethyl N-(3-chlorophenyl)carbamate
CID 79337718
cyclohexylmethyl N-(3-chlorophenyl)carbamate
CID 27108719
2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate
CID 2244784
(1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate
CID 79337748
4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate;2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
CID 67576285

Frequently Asked Questions

What is the IUPAC name of 3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate?
The IUPAC name of 3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate (CID 14229860) is 3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for 3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate?
The canonical SMILES for 3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)OCC#CI.
What is the InChIKey of 3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate?
The InChIKey is HCNZICNSKVOGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClINO2/c11-8-3-1-4-9(7-8)13-10(14)15-6-2-5-12/h1,3-4,7H,6H2,(H,13,14).
What are the key properties of 3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate?
3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate has a molecular weight of 335.53 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 14229860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).