N-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide

C16H14ClNO2 — CID 139520073

IUPACN-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO2/c1-11(2)16(19)18-13-5-9-15(10-6-13)20-14-7-3-12(17)4-8-14/h3-10H,1H2,2H3,(H,18,19)
InChIKeyVNEQHKZZNWDZBM-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.65
Rot. Bonds4

About N-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide

N-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide (PubChem CID 139520073) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide
PubChem CID139520073
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO2/c1-11(2)16(19)18-13-5-9-15(10-6-13)20-14-7-3-12(17)4-8-14/h3-10H,1H2,2H3,(H,18,19)
InChIKeyVNEQHKZZNWDZBM-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tris[4-(2-methylprop-2-enoylamino)phenyl] stiborite
CID 172860369
[4-(2-methylprop-2-enoylamino)phenoxy]boronic acid
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N-(4-chlorophenyl)-2-oxopropanamide
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2-chloro-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 2782070
(4-chlorophenyl) N-(2-methylprop-2-enoyl)carbamate
CID 59518611
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933208
3-[(4-chlorophenyl)carbamoyl]but-3-enoic acid
CID 71372890
N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 102428329

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide (CID 139520073) is N-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide is C=C(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide?
The InChIKey is VNEQHKZZNWDZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-11(2)16(19)18-13-5-9-15(10-6-13)20-14-7-3-12(17)4-8-14/h3-10H,1H2,2H3,(H,18,19).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide?
N-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide has a molecular weight of 287.75 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide is sourced from PubChem (CID 139520073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).