1-(2-chlorophenyl)-3-(4-ethoxyphenyl)imino-2-pyridin-2-ylpropan-1-one

C22H19ClN2O2 — CID 90957038

IUPAC1-(2-chlorophenyl)-3-(4-ethoxyphenyl)imino-2-pyridin-2-ylpropan-1-one
SMILESCCOc1ccc(/N=C/C(C(=O)c2ccccc2Cl)c2ccccn2)cc1
InChIInChI=1S/C22H19ClN2O2/c1-2-27-17-12-10-16(11-13-17)25-15-19(21-9-5-6-14-24-21)22(26)18-7-3-4-8-20(18)23/h3-15,19H,2H2,1H3/b25-15+
InChIKeyGGNJPWQDKIBOER-MFKUBSTISA-N
MW378.86 g/mol
LogP5.50
Rot. Bonds7

About 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)imino-2-pyridin-2-ylpropan-1-one

1-(2-chlorophenyl)-3-(4-ethoxyphenyl)imino-2-pyridin-2-ylpropan-1-one (PubChem CID 90957038) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)imino-2-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4-ethoxyphenyl)imino-2-pyridin-2-ylpropan-1-one
PubChem CID90957038
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name1-(2-chlorophenyl)-3-(4-ethoxyphenyl)imino-2-pyridin-2-ylpropan-1-one
SMILESCCOc1ccc(/N=C/C(C(=O)c2ccccc2Cl)c2ccccn2)cc1
InChIInChI=1S/C22H19ClN2O2/c1-2-27-17-12-10-16(11-13-17)25-15-19(21-9-5-6-14-24-21)22(26)18-7-3-4-8-20(18)23/h3-15,19H,2H2,1H3/b25-15+
InChIKeyGGNJPWQDKIBOER-MFKUBSTISA-N
XLogP5.50
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one
CID 91190415
3-(4-ethoxyphenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one
CID 90940702
dimethyl 2-[(4-ethoxyphenyl)iminomethyl]propanedioate
CID 54394653
ethyl 3-(2-chloro-3-pyridinyl)-2-[(4-fluorophenyl)iminomethyl]-3-oxopropanoate
CID 54262925
1-(4-ethoxyphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62791020
N-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-imine
CID 91431094
(3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone
CID 64712585
2-chloro-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 46461477
2-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]benzoic acid
CID 18795158
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 37019385
2-chloro-N-[2-[(3-methyl-2-pyridin-2-ylbutanoyl)amino]ethyl]benzamide
CID 119039955

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)imino-2-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)imino-2-pyridin-2-ylpropan-1-one (CID 90957038) is 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)imino-2-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)imino-2-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)imino-2-pyridin-2-ylpropan-1-one is CCOc1ccc(/N=C/C(C(=O)c2ccccc2Cl)c2ccccn2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)imino-2-pyridin-2-ylpropan-1-one?
The InChIKey is GGNJPWQDKIBOER-MFKUBSTISA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-2-27-17-12-10-16(11-13-17)25-15-19(21-9-5-6-14-24-21)22(26)18-7-3-4-8-20(18)23/h3-15,19H,2H2,1H3/b25-15+.
What are the key properties of 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)imino-2-pyridin-2-ylpropan-1-one?
1-(2-chlorophenyl)-3-(4-ethoxyphenyl)imino-2-pyridin-2-ylpropan-1-one has a molecular weight of 378.86 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)imino-2-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 90957038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).