(E)-N-[4-(4-chlorophenyl)phenyl]-3-[4-(dimethoxymethyl)phenyl]prop-2-enamide

C24H22ClNO3 — CID 68819697

IUPAC(E)-N-[4-(4-chlorophenyl)phenyl]-3-[4-(dimethoxymethyl)phenyl]prop-2-enamide
SMILESCOC(OC)c1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C24H22ClNO3/c1-28-24(29-2)20-6-3-17(4-7-20)5-16-23(27)26-22-14-10-19(11-15-22)18-8-12-21(25)13-9-18/h3-16,24H,1-2H3,(H,26,27)/b16-5+
InChIKeyKLVJHNJHIICKTR-FZSIALSZSA-N
MW407.90 g/mol
LogP5.95
Rot. Bonds7

About (E)-N-[4-(4-chlorophenyl)phenyl]-3-[4-(dimethoxymethyl)phenyl]prop-2-enamide

(E)-N-[4-(4-chlorophenyl)phenyl]-3-[4-(dimethoxymethyl)phenyl]prop-2-enamide (PubChem CID 68819697) has the molecular formula C24H22ClNO3 and a molecular weight of 407.90 g/mol. Its IUPAC name is (E)-N-[4-(4-chlorophenyl)phenyl]-3-[4-(dimethoxymethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-chlorophenyl)phenyl]-3-[4-(dimethoxymethyl)phenyl]prop-2-enamide
PubChem CID68819697
Molecular FormulaC24H22ClNO3
Molecular Weight407.90 g/mol
Exact Mass407.13
IUPAC Name(E)-N-[4-(4-chlorophenyl)phenyl]-3-[4-(dimethoxymethyl)phenyl]prop-2-enamide
SMILESCOC(OC)c1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C24H22ClNO3/c1-28-24(29-2)20-6-3-17(4-7-20)5-16-23(27)26-22-14-10-19(11-15-22)18-8-12-21(25)13-9-18/h3-16,24H,1-2H3,(H,26,27)/b16-5+
InChIKeyKLVJHNJHIICKTR-FZSIALSZSA-N
XLogP5.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
(E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
CID 51057389
(E)-3-(4-chlorophenyl)-N-(4-iodophenyl)prop-2-enamide
CID 1179042
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 84552409
(E)-N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1121350
3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 892966

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-chlorophenyl)phenyl]-3-[4-(dimethoxymethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[4-(4-chlorophenyl)phenyl]-3-[4-(dimethoxymethyl)phenyl]prop-2-enamide (CID 68819697) is (E)-N-[4-(4-chlorophenyl)phenyl]-3-[4-(dimethoxymethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-chlorophenyl)phenyl]-3-[4-(dimethoxymethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-chlorophenyl)phenyl]-3-[4-(dimethoxymethyl)phenyl]prop-2-enamide is COC(OC)c1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of (E)-N-[4-(4-chlorophenyl)phenyl]-3-[4-(dimethoxymethyl)phenyl]prop-2-enamide?
The InChIKey is KLVJHNJHIICKTR-FZSIALSZSA-N. The full InChI is InChI=1S/C24H22ClNO3/c1-28-24(29-2)20-6-3-17(4-7-20)5-16-23(27)26-22-14-10-19(11-15-22)18-8-12-21(25)13-9-18/h3-16,24H,1-2H3,(H,26,27)/b16-5+.
What are the key properties of (E)-N-[4-(4-chlorophenyl)phenyl]-3-[4-(dimethoxymethyl)phenyl]prop-2-enamide?
(E)-N-[4-(4-chlorophenyl)phenyl]-3-[4-(dimethoxymethyl)phenyl]prop-2-enamide has a molecular weight of 407.90 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-chlorophenyl)phenyl]-3-[4-(dimethoxymethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 68819697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).