N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-phenoxyaniline

C16H16ClNO — CID 106437297

IUPACN-[(Z)-3-chloro-2-methylprop-2-enyl]-2-phenoxyaniline
SMILESC/C(=C/Cl)CNc1ccccc1Oc1ccccc1
InChIInChI=1S/C16H16ClNO/c1-13(11-17)12-18-15-9-5-6-10-16(15)19-14-7-3-2-4-8-14/h2-11,18H,12H2,1H3/b13-11-
InChIKeyXJJQHNJGTHEXCH-QBFSEMIESA-N
MW273.76 g/mol
LogP5.03
Rot. Bonds5

About N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-phenoxyaniline

N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-phenoxyaniline (PubChem CID 106437297) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-phenoxyaniline.

Molecular Properties

Compound NameN-[(Z)-3-chloro-2-methylprop-2-enyl]-2-phenoxyaniline
PubChem CID106437297
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-[(Z)-3-chloro-2-methylprop-2-enyl]-2-phenoxyaniline
SMILESC/C(=C/Cl)CNc1ccccc1Oc1ccccc1
InChIInChI=1S/C16H16ClNO/c1-13(11-17)12-18-15-9-5-6-10-16(15)19-14-7-3-2-4-8-14/h2-11,18H,12H2,1H3/b13-11-
InChIKeyXJJQHNJGTHEXCH-QBFSEMIESA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.76
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-3-chloro-2-methylprop-2-enyl]-2-(methoxymethyl)aniline
CID 106437606
N-[2-(2-phenoxyanilino)ethyl]acetamide
CID 103604146
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
2-(2-phenoxyanilino)-N-prop-2-enylacetamide
CID 108992999
2-(2-chloroanilino)-N-(2-phenoxyphenyl)acetamide
CID 9098717
2-[(2-phenoxyanilino)methyl]phenol
CID 43823583
N-but-2-ynyl-2-phenoxyaniline
CID 62309532
N-benzyl-N-ethyl-2-(2-phenoxyanilino)acetamide
CID 108999057
N-methyl-2-phenoxyaniline
CID 22961955
N-(3-methoxypropyl)-2-phenoxyaniline
CID 54935925
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922845
N-(cyclopentylcarbamoyl)-2-(2-phenoxyanilino)acetamide
CID 17404437

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-phenoxyaniline?
The IUPAC name of N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-phenoxyaniline (CID 106437297) is N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-phenoxyaniline.
What is the SMILES notation for N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-phenoxyaniline?
The canonical SMILES for N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-phenoxyaniline is C/C(=C/Cl)CNc1ccccc1Oc1ccccc1.
What is the InChIKey of N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-phenoxyaniline?
The InChIKey is XJJQHNJGTHEXCH-QBFSEMIESA-N. The full InChI is InChI=1S/C16H16ClNO/c1-13(11-17)12-18-15-9-5-6-10-16(15)19-14-7-3-2-4-8-14/h2-11,18H,12H2,1H3/b13-11-.
What are the key properties of N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-phenoxyaniline?
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-phenoxyaniline has a molecular weight of 273.76 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-phenoxyaniline is sourced from PubChem (CID 106437297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).