(2-chloro-6-iodophenyl) N-propan-2-ylcarbamate

C10H11ClINO2 — CID 11209985

IUPAC(2-chloro-6-iodophenyl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c(Cl)cccc1I
InChIInChI=1S/C10H11ClINO2/c1-6(2)13-10(14)15-9-7(11)4-3-5-8(9)12/h3-6H,1-2H3,(H,13,14)
InChIKeyKXUXKPWFCOGCKK-UHFFFAOYSA-N
MW339.56 g/mol
LogP3.44
Rot. Bonds2

About (2-chloro-6-iodophenyl) N-propan-2-ylcarbamate

(2-chloro-6-iodophenyl) N-propan-2-ylcarbamate (PubChem CID 11209985) has the molecular formula C10H11ClINO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is (2-chloro-6-iodophenyl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(2-chloro-6-iodophenyl) N-propan-2-ylcarbamate
PubChem CID11209985
Molecular FormulaC10H11ClINO2
Molecular Weight339.56 g/mol
Exact Mass338.95
IUPAC Name(2-chloro-6-iodophenyl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c(Cl)cccc1I
InChIInChI=1S/C10H11ClINO2/c1-6(2)13-10(14)15-9-7(11)4-3-5-8(9)12/h3-6H,1-2H3,(H,13,14)
InChIKeyKXUXKPWFCOGCKK-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-6-tributylstannylphenyl) N-propan-2-ylcarbamate
CID 15537285
2-iodo-6-methyl-N-propan-2-ylbenzamide
CID 162534014
(2,6-dichlorophenyl) N-(2,6-dimethoxybenzoyl)carbamate
CID 2800092
3-chloro-1-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 142678332
[1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate
CID 56596269
[2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenyl] N-propan-2-ylcarbamate
CID 118909693
(2,6-dichlorophenyl) N-cyclohexylcarbamate
CID 134113156
(2-methoxyphenyl) N-propan-2-ylcarbamate
CID 2802349
(2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate
CID 11694852
2-[(2-chlorophenoxy)carbonylamino]propanoic acid
CID 83825067
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-iodophenyl) N-propan-2-ylcarbamate?
The IUPAC name of (2-chloro-6-iodophenyl) N-propan-2-ylcarbamate (CID 11209985) is (2-chloro-6-iodophenyl) N-propan-2-ylcarbamate.
What is the SMILES notation for (2-chloro-6-iodophenyl) N-propan-2-ylcarbamate?
The canonical SMILES for (2-chloro-6-iodophenyl) N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1c(Cl)cccc1I.
What is the InChIKey of (2-chloro-6-iodophenyl) N-propan-2-ylcarbamate?
The InChIKey is KXUXKPWFCOGCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClINO2/c1-6(2)13-10(14)15-9-7(11)4-3-5-8(9)12/h3-6H,1-2H3,(H,13,14).
What are the key properties of (2-chloro-6-iodophenyl) N-propan-2-ylcarbamate?
(2-chloro-6-iodophenyl) N-propan-2-ylcarbamate has a molecular weight of 339.56 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-iodophenyl) N-propan-2-ylcarbamate is sourced from PubChem (CID 11209985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).