(Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide

C17H16ClNO — CID 2169951

IUPAC(Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
SMILESCCc1cccc(NC(=O)/C=C\c2ccccc2Cl)c1
InChIInChI=1S/C17H16ClNO/c1-2-13-6-5-8-15(12-13)19-17(20)11-10-14-7-3-4-9-16(14)18/h3-12H,2H2,1H3,(H,19,20)/b11-10-
InChIKeyJPOWEUYUOWBIPH-KHPPLWFESA-N
MW285.77 g/mol
LogP4.55
Rot. Bonds4

About (Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide

(Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide (PubChem CID 2169951) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is (Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
PubChem CID2169951
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name(Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
SMILESCCc1cccc(NC(=O)/C=C\c2ccccc2Cl)c1
InChIInChI=1S/C17H16ClNO/c1-2-13-6-5-8-15(12-13)19-17(20)11-10-14-7-3-4-9-16(14)18/h3-12H,2H2,1H3,(H,19,20)/b11-10-
InChIKeyJPOWEUYUOWBIPH-KHPPLWFESA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 6115822
3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 692536
3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 692605
(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2591543
(E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 966048
(E)-3-(4-chloro-3-nitrophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 7699851
3-(2-chlorophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
CID 966103
(E)-N-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6161453
[4-[[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
CID 108932185
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-4-methylphenyl]prop-2-enamide
CID 6234801
3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692551
(E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692552

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide (CID 2169951) is (Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide is CCc1cccc(NC(=O)/C=C\c2ccccc2Cl)c1.
What is the InChIKey of (Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide?
The InChIKey is JPOWEUYUOWBIPH-KHPPLWFESA-N. The full InChI is InChI=1S/C17H16ClNO/c1-2-13-6-5-8-15(12-13)19-17(20)11-10-14-7-3-4-9-16(14)18/h3-12H,2H2,1H3,(H,19,20)/b11-10-.
What are the key properties of (Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide?
(Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide has a molecular weight of 285.77 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 2169951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).