N'-(4-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)phenyl]prop-2-enimidamide

C23H21ClN2O2 — CID 72562744

IUPACN'-(4-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)phenyl]prop-2-enimidamide
SMILESCOc1ccc(-c2ccc(C=C/C(N)=N/c3ccc(Cl)cc3)cc2)cc1OC
InChIInChI=1S/C23H21ClN2O2/c1-27-21-13-8-18(15-22(21)28-2)17-6-3-16(4-7-17)5-14-23(25)26-20-11-9-19(24)10-12-20/h3-15H,1-2H3,(H2,25,26)
InChIKeyPPCWAWDWLKDAMT-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.73
Rot. Bonds6

About N'-(4-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)phenyl]prop-2-enimidamide

N'-(4-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)phenyl]prop-2-enimidamide (PubChem CID 72562744) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)phenyl]prop-2-enimidamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)phenyl]prop-2-enimidamide
PubChem CID72562744
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC NameN'-(4-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)phenyl]prop-2-enimidamide
SMILESCOc1ccc(-c2ccc(C=C/C(N)=N/c3ccc(Cl)cc3)cc2)cc1OC
InChIInChI=1S/C23H21ClN2O2/c1-27-21-13-8-18(15-22(21)28-2)17-6-3-16(4-7-17)5-14-23(25)26-20-11-9-19(24)10-12-20/h3-15H,1-2H3,(H2,25,26)
InChIKeyPPCWAWDWLKDAMT-UHFFFAOYSA-N
XLogP5.73
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(E)-N'-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enimidamide
CID 59789825
(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide
CID 59789908
(E)-N'-(4-chlorophenyl)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enimidamide
CID 143072549
(E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide
CID 59789851
(E)-N'-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enimidamide
CID 11187118
(E)-N'-(4-chlorophenyl)-3-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-enimidamide
CID 59789896
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 91685134
(E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate
CID 173457172
3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3,4-dimethoxyphenyl)-1-phenylimidazol-2-one
CID 53311290
[4-[(E)-3-amino-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 91690018
(E)-3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]prop-2-enamide
CID 91685648
(3Z,5E)-6-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)hexa-3,5-dienoic acid
CID 88638678

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)phenyl]prop-2-enimidamide?
The IUPAC name of N'-(4-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)phenyl]prop-2-enimidamide (CID 72562744) is N'-(4-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)phenyl]prop-2-enimidamide.
What is the SMILES notation for N'-(4-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)phenyl]prop-2-enimidamide?
The canonical SMILES for N'-(4-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)phenyl]prop-2-enimidamide is COc1ccc(-c2ccc(C=C/C(N)=N/c3ccc(Cl)cc3)cc2)cc1OC.
What is the InChIKey of N'-(4-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)phenyl]prop-2-enimidamide?
The InChIKey is PPCWAWDWLKDAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-27-21-13-8-18(15-22(21)28-2)17-6-3-16(4-7-17)5-14-23(25)26-20-11-9-19(24)10-12-20/h3-15H,1-2H3,(H2,25,26).
What are the key properties of N'-(4-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)phenyl]prop-2-enimidamide?
N'-(4-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)phenyl]prop-2-enimidamide has a molecular weight of 392.89 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)phenyl]prop-2-enimidamide is sourced from PubChem (CID 72562744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).