(E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide

C19H21ClN2O — CID 99996150

IUPAC(E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
SMILESCN(CCCNC(=O)/C=C/c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C19H21ClN2O/c1-22(17-9-3-2-4-10-17)15-7-14-21-19(23)13-12-16-8-5-6-11-18(16)20/h2-6,8-13H,7,14-15H2,1H3,(H,21,23)/b13-12+
InChIKeyAFKWAZPBYDOUAY-OUKQBFOZSA-N
MW328.84 g/mol
LogP4.00
Rot. Bonds7

About (E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide (PubChem CID 99996150) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
PubChem CID99996150
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name(E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
SMILESCN(CCCNC(=O)/C=C/c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C19H21ClN2O/c1-22(17-9-3-2-4-10-17)15-7-14-21-19(23)13-12-16-8-5-6-11-18(16)20/h2-6,8-13H,7,14-15H2,1H3,(H,21,23)/b13-12+
InChIKeyAFKWAZPBYDOUAY-OUKQBFOZSA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]prop-2-enamide;hydrochloride
CID 19166685
(E)-3-(2-ethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 43008492
3-(2-chlorophenyl)-N-undecylprop-2-enamide
CID 3474839
3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 3702491
(E)-3-(2,4-dimethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 37315728
3-(2-chlorophenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2905028
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
3-(2-chlorophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 77037719
N-[4-(N-methylanilino)butyl]-3-(3-methylphenyl)prop-2-enamide
CID 76868918
(E)-N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)prop-2-enamide
CID 90264801
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6258276
3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide
CID 131848081

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide (CID 99996150) is (E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide is CN(CCCNC(=O)/C=C/c1ccccc1Cl)c1ccccc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide?
The InChIKey is AFKWAZPBYDOUAY-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-22(17-9-3-2-4-10-17)15-7-14-21-19(23)13-12-16-8-5-6-11-18(16)20/h2-6,8-13H,7,14-15H2,1H3,(H,21,23)/b13-12+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide has a molecular weight of 328.84 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide is sourced from PubChem (CID 99996150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).