2-chloro-N-(2-chloroprop-2-enyl)-4-iodoaniline

C9H8Cl2IN — CID 107606379

IUPAC2-chloro-N-(2-chloroprop-2-enyl)-4-iodoaniline
SMILESC=C(Cl)CNc1ccc(I)cc1Cl
InChIInChI=1S/C9H8Cl2IN/c1-6(10)5-13-9-3-2-7(12)4-8(9)11/h2-4,13H,1,5H2
InChIKeyYGYADWDFCUVADQ-UHFFFAOYSA-N
MW327.98 g/mol
LogP4.11
Rot. Bonds3

About 2-chloro-N-(2-chloroprop-2-enyl)-4-iodoaniline

2-chloro-N-(2-chloroprop-2-enyl)-4-iodoaniline (PubChem CID 107606379) has the molecular formula C9H8Cl2IN and a molecular weight of 327.98 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroprop-2-enyl)-4-iodoaniline.

Molecular Properties

Compound Name2-chloro-N-(2-chloroprop-2-enyl)-4-iodoaniline
PubChem CID107606379
Molecular FormulaC9H8Cl2IN
Molecular Weight327.98 g/mol
Exact Mass326.91
IUPAC Name2-chloro-N-(2-chloroprop-2-enyl)-4-iodoaniline
SMILESC=C(Cl)CNc1ccc(I)cc1Cl
InChIInChI=1S/C9H8Cl2IN/c1-6(10)5-13-9-3-2-7(12)4-8(9)11/h2-4,13H,1,5H2
InChIKeyYGYADWDFCUVADQ-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.98
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloro-4-iodoanilino)butan-1-ol
CID 107606514
N-butyl-2-chloro-4-iodoaniline
CID 43733829
5-bromo-2-chloro-N-(2-chloroprop-2-enyl)aniline
CID 63491940
1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol
CID 107606330
2,4-dichloro-6-[(2-chloro-4-iodoanilino)methyl]phenol
CID 43733779
2-chloro-4-iodo-N-octylaniline
CID 63445374
2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 107606651
N-(2-butoxyethyl)-2-chloro-4-iodoaniline
CID 107606504
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
2-chloro-N-(2-chloro-4-iodophenyl)acetamide
CID 43701527
2-(2-chloroprop-2-enylcarbamoylamino)-5-iodobenzoic acid
CID 113464792
2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline
CID 107606595

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloroprop-2-enyl)-4-iodoaniline?
The IUPAC name of 2-chloro-N-(2-chloroprop-2-enyl)-4-iodoaniline (CID 107606379) is 2-chloro-N-(2-chloroprop-2-enyl)-4-iodoaniline.
What is the SMILES notation for 2-chloro-N-(2-chloroprop-2-enyl)-4-iodoaniline?
The canonical SMILES for 2-chloro-N-(2-chloroprop-2-enyl)-4-iodoaniline is C=C(Cl)CNc1ccc(I)cc1Cl.
What is the InChIKey of 2-chloro-N-(2-chloroprop-2-enyl)-4-iodoaniline?
The InChIKey is YGYADWDFCUVADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2IN/c1-6(10)5-13-9-3-2-7(12)4-8(9)11/h2-4,13H,1,5H2.
What are the key properties of 2-chloro-N-(2-chloroprop-2-enyl)-4-iodoaniline?
2-chloro-N-(2-chloroprop-2-enyl)-4-iodoaniline has a molecular weight of 327.98 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloroprop-2-enyl)-4-iodoaniline is sourced from PubChem (CID 107606379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).