N-[(E)-but-2-enyl]-4-chloro-2-iodoaniline

C10H11ClIN — CID 107899368

IUPACN-[(E)-but-2-enyl]-4-chloro-2-iodoaniline
SMILESC/C=C/CNc1ccc(Cl)cc1I
InChIInChI=1S/C10H11ClIN/c1-2-3-6-13-10-5-4-8(11)7-9(10)12/h2-5,7,13H,6H2,1H3/b3-2+
InChIKeyFPGTYYRRNWDAHU-NSCUHMNNSA-N
MW307.56 g/mol
LogP3.93
Rot. Bonds3

About N-[(E)-but-2-enyl]-4-chloro-2-iodoaniline

N-[(E)-but-2-enyl]-4-chloro-2-iodoaniline (PubChem CID 107899368) has the molecular formula C10H11ClIN and a molecular weight of 307.56 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-4-chloro-2-iodoaniline.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-4-chloro-2-iodoaniline
PubChem CID107899368
Molecular FormulaC10H11ClIN
Molecular Weight307.56 g/mol
Exact Mass306.96
IUPAC NameN-[(E)-but-2-enyl]-4-chloro-2-iodoaniline
SMILESC/C=C/CNc1ccc(Cl)cc1I
InChIInChI=1S/C10H11ClIN/c1-2-3-6-13-10-5-4-8(11)7-9(10)12/h2-5,7,13H,6H2,1H3/b3-2+
InChIKeyFPGTYYRRNWDAHU-NSCUHMNNSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.56
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-chloro-2-iodoaniline
CID 107632190
1-N-[(E)-but-2-enyl]-4-iodobenzene-1,2-diamine
CID 131242821
4-chloro-N-decyl-2-iodoaniline
CID 107635321
N-benzyl-4-chloro-2-iodoaniline
CID 71507320
4-chloro-N-[[4-(diethylamino)phenyl]methyl]-2-iodoaniline
CID 107631454
3-(4-chloro-2-iodoanilino)propanenitrile
CID 107635283
ethyl 3-(4-chloro-2-iodoanilino)propanoate
CID 107634917
2-(4-chloro-2-iodoanilino)-1-phenylethanol
CID 101467777
4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-iodoaniline
CID 107632429
4-chloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 107634893
4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-iodoaniline
CID 107632198
2-bromo-N-[(E)-but-2-enyl]-3-chloroaniline
CID 107899336

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-4-chloro-2-iodoaniline?
The IUPAC name of N-[(E)-but-2-enyl]-4-chloro-2-iodoaniline (CID 107899368) is N-[(E)-but-2-enyl]-4-chloro-2-iodoaniline.
What is the SMILES notation for N-[(E)-but-2-enyl]-4-chloro-2-iodoaniline?
The canonical SMILES for N-[(E)-but-2-enyl]-4-chloro-2-iodoaniline is C/C=C/CNc1ccc(Cl)cc1I.
What is the InChIKey of N-[(E)-but-2-enyl]-4-chloro-2-iodoaniline?
The InChIKey is FPGTYYRRNWDAHU-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H11ClIN/c1-2-3-6-13-10-5-4-8(11)7-9(10)12/h2-5,7,13H,6H2,1H3/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-4-chloro-2-iodoaniline?
N-[(E)-but-2-enyl]-4-chloro-2-iodoaniline has a molecular weight of 307.56 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-4-chloro-2-iodoaniline is sourced from PubChem (CID 107899368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).