4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline

C16H15ClN2O2 — CID 73186903

IUPAC4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=Cc2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15ClN2O2/c1-18(2)15-9-4-12(5-10-15)3-6-13-7-8-14(17)11-16(13)19(20)21/h3-11H,1-2H3
InChIKeyQEVXAIHIDJRANS-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.48
Rot. Bonds4

About 4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline

4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline (PubChem CID 73186903) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline
PubChem CID73186903
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=Cc2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15ClN2O2/c1-18(2)15-9-4-12(5-10-15)3-6-13-7-8-14(17)11-16(13)19(20)21/h3-11H,1-2H3
InChIKeyQEVXAIHIDJRANS-UHFFFAOYSA-N
XLogP4.48
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline
CID 92907800
4-[(E)-2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,4-dinitrophenyl]ethenyl]-N,N-dimethylaniline
CID 6178371
4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-nitrobenzoic acid
CID 639936
cesium 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-nitrobenzoate
CID 101000905
1-[2-(4-chloro-2-nitrophenyl)ethenyl]-4-methyl-2-nitrobenzene
CID 54507727
1-[(E)-2-(4-chloro-2-nitrophenyl)ethenyl]-4-methyl-2-nitrobenzene
CID 21446805
4-chloro-2-nitro-1-[(E)-prop-1-enyl]benzene
CID 57056957
4-[2-(2-iodo-4-nitrophenyl)ethenyl]-N,N-dimethylaniline
CID 72530912
1-[(E)-2-(2-bromophenyl)ethenyl]-4-chloro-2-nitrobenzene
CID 10712090
(1E,6E)-1-[4-(dimethylamino)-2-nitrophenyl]-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 67107688
2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6024519
4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline
CID 67905475

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline (CID 73186903) is 4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(C=Cc2ccc(Cl)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline?
The InChIKey is QEVXAIHIDJRANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-18(2)15-9-4-12(5-10-15)3-6-13-7-8-14(17)11-16(13)19(20)21/h3-11H,1-2H3.
What are the key properties of 4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline?
4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline has a molecular weight of 302.76 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 73186903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).