(E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide

C15H16ClNO — CID 879942

IUPAC(E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C15H16ClNO/c1-3-11-17(12-4-2)15(18)10-9-13-7-5-6-8-14(13)16/h3-10H,1-2,11-12H2/b10-9+
InChIKeyFKLSOMWJDRLWPT-MDZDMXLPSA-N
MW261.75 g/mol
LogP3.55
Rot. Bonds6

About (E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide

(E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide (PubChem CID 879942) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
PubChem CID879942
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name(E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C15H16ClNO/c1-3-11-17(12-4-2)15(18)10-9-13-7-5-6-8-14(13)16/h3-10H,1-2,11-12H2/b10-9+
InChIKeyFKLSOMWJDRLWPT-MDZDMXLPSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]-ethylamino]acetic acid
CID 54901044
3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 895970
(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642
(E)-3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide
CID 115902440
(E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 18830823
(Z)-4-(2-chlorophenyl)but-3-en-2-one
CID 23273586
N-benzyl-3-(2-chlorophenyl)-N-(cyclobutylmethyl)prop-2-enamide
CID 3348745
(E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one
CID 5388429
(E)-3-(2-chlorophenyl)-1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one
CID 12072432
(E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide
CID 17256732
2-[3-(2-chlorophenyl)prop-2-enoyl-methylamino]butanoic acid
CID 76930490
3-(2-chlorophenyl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide
CID 4630618

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide (CID 879942) is (E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide is C=CCN(CC=C)C(=O)/C=C/c1ccccc1Cl.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The InChIKey is FKLSOMWJDRLWPT-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-3-11-17(12-4-2)15(18)10-9-13-7-5-6-8-14(13)16/h3-10H,1-2,11-12H2/b10-9+.
What are the key properties of (E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide has a molecular weight of 261.75 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide is sourced from PubChem (CID 879942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).