(2E,4E)-N-[4-(4-chloro-2-methoxyphenoxy)phenyl]hexa-2,4-dienamide

C19H18ClNO3 — CID 46930514

IUPAC(2E,4E)-N-[4-(4-chloro-2-methoxyphenoxy)phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(Oc2ccc(Cl)cc2OC)cc1
InChIInChI=1S/C19H18ClNO3/c1-3-4-5-6-19(22)21-15-8-10-16(11-9-15)24-17-12-7-14(20)13-18(17)23-2/h3-13H,1-2H3,(H,21,22)/b4-3+,6-5+
InChIKeyOBGHWJWXESCUKN-VNKDHWASSA-N
MW343.81 g/mol
LogP5.21
Rot. Bonds6

About (2E,4E)-N-[4-(4-chloro-2-methoxyphenoxy)phenyl]hexa-2,4-dienamide

(2E,4E)-N-[4-(4-chloro-2-methoxyphenoxy)phenyl]hexa-2,4-dienamide (PubChem CID 46930514) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is (2E,4E)-N-[4-(4-chloro-2-methoxyphenoxy)phenyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[4-(4-chloro-2-methoxyphenoxy)phenyl]hexa-2,4-dienamide
PubChem CID46930514
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name(2E,4E)-N-[4-(4-chloro-2-methoxyphenoxy)phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(Oc2ccc(Cl)cc2OC)cc1
InChIInChI=1S/C19H18ClNO3/c1-3-4-5-6-19(22)21-15-8-10-16(11-9-15)24-17-12-7-14(20)13-18(17)23-2/h3-13H,1-2H3,(H,21,22)/b4-3+,6-5+
InChIKeyOBGHWJWXESCUKN-VNKDHWASSA-N
XLogP5.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.81
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-[4-(2,4-dichlorophenoxy)anilino]-4-oxobut-2-enoic acid
CID 25251032
N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide
CID 61241779
N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide
CID 72688712
(E)-3-(5-bromo-2-methoxyphenyl)-N-[4-(4-chlorophenoxy)phenyl]prop-2-enamide
CID 17111288
(2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide
CID 9439076
(2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide
CID 26679975
(E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
CID 51057389
(2E,4E)-N-(5-chloro-2-methylphenyl)hexa-2,4-dienamide
CID 9403286
(E)-3-(5-chloro-2-methoxyphenyl)-N-(4-methylsulfanylphenyl)prop-2-enamide
CID 52696409
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
(2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide
CID 47143172

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[4-(4-chloro-2-methoxyphenoxy)phenyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[4-(4-chloro-2-methoxyphenoxy)phenyl]hexa-2,4-dienamide (CID 46930514) is (2E,4E)-N-[4-(4-chloro-2-methoxyphenoxy)phenyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[4-(4-chloro-2-methoxyphenoxy)phenyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[4-(4-chloro-2-methoxyphenoxy)phenyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccc(Oc2ccc(Cl)cc2OC)cc1.
What is the InChIKey of (2E,4E)-N-[4-(4-chloro-2-methoxyphenoxy)phenyl]hexa-2,4-dienamide?
The InChIKey is OBGHWJWXESCUKN-VNKDHWASSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-3-4-5-6-19(22)21-15-8-10-16(11-9-15)24-17-12-7-14(20)13-18(17)23-2/h3-13H,1-2H3,(H,21,22)/b4-3+,6-5+.
What are the key properties of (2E,4E)-N-[4-(4-chloro-2-methoxyphenoxy)phenyl]hexa-2,4-dienamide?
(2E,4E)-N-[4-(4-chloro-2-methoxyphenoxy)phenyl]hexa-2,4-dienamide has a molecular weight of 343.81 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[4-(4-chloro-2-methoxyphenoxy)phenyl]hexa-2,4-dienamide is sourced from PubChem (CID 46930514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).