2,3-dichloro-N-(2-phenylprop-2-enyl)aniline

C15H13Cl2N — CID 115328098

IUPAC2,3-dichloro-N-(2-phenylprop-2-enyl)aniline
SMILESC=C(CNc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C15H13Cl2N/c1-11(12-6-3-2-4-7-12)10-18-14-9-5-8-13(16)15(14)17/h2-9,18H,1,10H2
InChIKeyFDTMCFXCVMAWLK-UHFFFAOYSA-N
MW278.18 g/mol
LogP5.12
Rot. Bonds4

About 2,3-dichloro-N-(2-phenylprop-2-enyl)aniline

2,3-dichloro-N-(2-phenylprop-2-enyl)aniline (PubChem CID 115328098) has the molecular formula C15H13Cl2N and a molecular weight of 278.18 g/mol. Its IUPAC name is 2,3-dichloro-N-(2-phenylprop-2-enyl)aniline.

Molecular Properties

Compound Name2,3-dichloro-N-(2-phenylprop-2-enyl)aniline
PubChem CID115328098
Molecular FormulaC15H13Cl2N
Molecular Weight278.18 g/mol
Exact Mass277.04
IUPAC Name2,3-dichloro-N-(2-phenylprop-2-enyl)aniline
SMILESC=C(CNc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C15H13Cl2N/c1-11(12-6-3-2-4-7-12)10-18-14-9-5-8-13(16)15(14)17/h2-9,18H,1,10H2
InChIKeyFDTMCFXCVMAWLK-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.18
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-N-(2-phenylprop-2-enyl)aniline
CID 113288070
2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline
CID 79167531
3,5-dichloro-N-(2-phenylprop-2-enyl)aniline
CID 113288075
1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone
CID 110823624
2-[2-[(2,3-dichloroanilino)methyl]phenyl]acetic acid
CID 115461544
2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide
CID 54815882
N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069766
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002179
N-(4-chlorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 29039257
N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54816111
2,3-dichloro-N-(4-phenylbutyl)aniline
CID 114333166

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2-phenylprop-2-enyl)aniline?
The IUPAC name of 2,3-dichloro-N-(2-phenylprop-2-enyl)aniline (CID 115328098) is 2,3-dichloro-N-(2-phenylprop-2-enyl)aniline.
What is the SMILES notation for 2,3-dichloro-N-(2-phenylprop-2-enyl)aniline?
The canonical SMILES for 2,3-dichloro-N-(2-phenylprop-2-enyl)aniline is C=C(CNc1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of 2,3-dichloro-N-(2-phenylprop-2-enyl)aniline?
The InChIKey is FDTMCFXCVMAWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N/c1-11(12-6-3-2-4-7-12)10-18-14-9-5-8-13(16)15(14)17/h2-9,18H,1,10H2.
What are the key properties of 2,3-dichloro-N-(2-phenylprop-2-enyl)aniline?
2,3-dichloro-N-(2-phenylprop-2-enyl)aniline has a molecular weight of 278.18 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2-phenylprop-2-enyl)aniline is sourced from PubChem (CID 115328098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).