2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline

C15H13ClIN — CID 107606608

IUPAC2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline
SMILESClc1cc(I)ccc1NC/C=C/c1ccccc1
InChIInChI=1S/C15H13ClIN/c16-14-11-13(17)8-9-15(14)18-10-4-7-12-5-2-1-3-6-12/h1-9,11,18H,10H2/b7-4+
InChIKeyFPEWWJAJRHJXTR-QPJJXVBHSA-N
MW369.63 g/mol
LogP5.07
Rot. Bonds4

About 2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline

2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline (PubChem CID 107606608) has the molecular formula C15H13ClIN and a molecular weight of 369.63 g/mol. Its IUPAC name is 2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline.

Molecular Properties

Compound Name2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline
PubChem CID107606608
Molecular FormulaC15H13ClIN
Molecular Weight369.63 g/mol
Exact Mass368.98
IUPAC Name2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline
SMILESClc1cc(I)ccc1NC/C=C/c1ccccc1
InChIInChI=1S/C15H13ClIN/c16-14-11-13(17)8-9-15(14)18-10-4-7-12-5-2-1-3-6-12/h1-9,11,18H,10H2/b7-4+
InChIKeyFPEWWJAJRHJXTR-QPJJXVBHSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.63
LogP ≤ 55.07
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

2,5-dichloro-4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline
CID 104726942
2-iodo-N-(3-phenylprop-2-enyl)aniline
CID 78944181
3-iodo-N-(3-phenylprop-2-enyl)aniline
CID 76997519
2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline
CID 76997582
3,5-dichloro-N-(3-phenylprop-2-enyl)aniline
CID 78605740
2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine
CID 6508892
3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline
CID 73471536
N-[(E)-3-phenylprop-2-enyl]naphthalen-1-amine
CID 7949251
2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline
CID 11414530
2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline
CID 43733694
N-butyl-2-chloro-4-iodoaniline
CID 43733829
2-chloro-N-(2-chloroprop-2-enyl)-4-iodoaniline
CID 107606379

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline?
The IUPAC name of 2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline (CID 107606608) is 2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline.
What is the SMILES notation for 2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline?
The canonical SMILES for 2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline is Clc1cc(I)ccc1NC/C=C/c1ccccc1.
What is the InChIKey of 2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline?
The InChIKey is FPEWWJAJRHJXTR-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H13ClIN/c16-14-11-13(17)8-9-15(14)18-10-4-7-12-5-2-1-3-6-12/h1-9,11,18H,10H2/b7-4+.
What are the key properties of 2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline?
2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline has a molecular weight of 369.63 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline is sourced from PubChem (CID 107606608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).