(Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one

C19H14ClNO — CID 58582647

IUPAC(Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one
SMILESO=C(/C=C\Nc1ccccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C19H14ClNO/c20-17-10-3-4-11-18(17)21-13-12-19(22)16-9-5-7-14-6-1-2-8-15(14)16/h1-13,21H/b13-12-
InChIKeyPDJLKCUSGIMOGN-SEYXRHQNSA-N
MW307.78 g/mol
LogP5.30
Rot. Bonds4

About (Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one

(Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one (PubChem CID 58582647) has the molecular formula C19H14ClNO and a molecular weight of 307.78 g/mol. Its IUPAC name is (Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one
PubChem CID58582647
Molecular FormulaC19H14ClNO
Molecular Weight307.78 g/mol
Exact Mass307.08
IUPAC Name(Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one
SMILESO=C(/C=C\Nc1ccccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C19H14ClNO/c20-17-10-3-4-11-18(17)21-13-12-19(22)16-9-5-7-14-6-1-2-8-15(14)16/h1-13,21H/b13-12-
InChIKeyPDJLKCUSGIMOGN-SEYXRHQNSA-N
XLogP5.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.78
LogP ≤ 55.30
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

(E)-3-(2,4-difluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 126187125
(E)-3-(3-methylanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 126185289
3-methyl-4-[[(E)-3-naphthalen-1-yl-3-oxoprop-1-enyl]amino]benzoic acid
CID 126186117
(E)-3-(2-methoxy-5-methylanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 126186705
(E)-3-(3-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 126184239
(Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one
CID 58582610
(E)-1-(4-bromophenyl)-3-(2-chloroanilino)prop-2-en-1-one
CID 51042951
(E)-3-(4-chlorophenoxy)-1-naphthalen-1-ylprop-2-en-1-one
CID 27185593
(E)-3-[3-[(1R)-1-hydroxyethyl]anilino]-1-naphthalen-1-ylprop-2-en-1-one
CID 126187703
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
ethyl 4-[[(E)-3-naphthalen-1-yl-3-oxoprop-1-enyl]amino]benzoate
CID 126182646
(E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-2-enamide
CID 134086602

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one (CID 58582647) is (Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one is O=C(/C=C\Nc1ccccc1Cl)c1cccc2ccccc12.
What is the InChIKey of (Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one?
The InChIKey is PDJLKCUSGIMOGN-SEYXRHQNSA-N. The full InChI is InChI=1S/C19H14ClNO/c20-17-10-3-4-11-18(17)21-13-12-19(22)16-9-5-7-14-6-1-2-8-15(14)16/h1-13,21H/b13-12-.
What are the key properties of (Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one?
(Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one has a molecular weight of 307.78 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one is sourced from PubChem (CID 58582647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).