3,5-dichloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]aniline

C10H10Cl3N — CID 106437333

IUPAC3,5-dichloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]aniline
SMILESC/C(=C/Cl)CNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H10Cl3N/c1-7(5-11)6-14-10-3-8(12)2-9(13)4-10/h2-5,14H,6H2,1H3/b7-5-
InChIKeyFAYOCRJUTHTHGQ-ALCCZGGFSA-N
MW250.56 g/mol
LogP4.55
Rot. Bonds3

About 3,5-dichloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]aniline

3,5-dichloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]aniline (PubChem CID 106437333) has the molecular formula C10H10Cl3N and a molecular weight of 250.56 g/mol. Its IUPAC name is 3,5-dichloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]aniline
PubChem CID106437333
Molecular FormulaC10H10Cl3N
Molecular Weight250.56 g/mol
Exact Mass248.99
IUPAC Name3,5-dichloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]aniline
SMILESC/C(=C/Cl)CNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H10Cl3N/c1-7(5-11)6-14-10-3-8(12)2-9(13)4-10/h2-5,14H,6H2,1H3/b7-5-
InChIKeyFAYOCRJUTHTHGQ-ALCCZGGFSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.56
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-difluoroaniline
CID 106437391
N-[(E)-3-chloro-2-methylprop-2-enyl]-3,4-dimethoxyaniline
CID 106437326
methyl 2-(3,5-dichloroanilino)acetate
CID 28576225
5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile
CID 106437691
N-[(E)-3-chloro-2-methylprop-2-enyl]-3-methylsulfanylaniline
CID 106437281
N-[(E)-3-chloro-2-methylprop-2-enyl]-4-methoxy-3-methylaniline
CID 106437613
2-(3,5-dichloroanilino)-N-propan-2-ylacetamide
CID 28576141
2-(3,5-dichloroanilino)-N,N-diethylacetamide
CID 28576153
3,5-dichloro-N-[(E)-3-chloroprop-2-enyl]aniline
CID 107899608
2-bromo-5-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline
CID 106438063
N-[2-(3,5-dichloroanilino)ethyl]acetamide
CID 82539545
N-(3-chloro-2-methylprop-2-enyl)-2,3,4,5,6-pentafluoroaniline
CID 114188786

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]aniline?
The IUPAC name of 3,5-dichloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]aniline (CID 106437333) is 3,5-dichloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]aniline.
What is the SMILES notation for 3,5-dichloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]aniline?
The canonical SMILES for 3,5-dichloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]aniline is C/C(=C/Cl)CNc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]aniline?
The InChIKey is FAYOCRJUTHTHGQ-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H10Cl3N/c1-7(5-11)6-14-10-3-8(12)2-9(13)4-10/h2-5,14H,6H2,1H3/b7-5-.
What are the key properties of 3,5-dichloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]aniline?
3,5-dichloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]aniline has a molecular weight of 250.56 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]aniline is sourced from PubChem (CID 106437333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).