(E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide

C19H20ClNO — CID 6241128

IUPAC(E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
SMILESCC(CCc1ccccc1)NC(=O)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO/c1-15(10-11-16-6-3-2-4-7-16)21-19(22)13-12-17-8-5-9-18(20)14-17/h2-9,12-15H,10-11H2,1H3,(H,21,22)/b13-12+
InChIKeyQEQOAPVBTOULCA-OUKQBFOZSA-N
MW313.83 g/mol
LogP4.49
Rot. Bonds6

About (E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide

(E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide (PubChem CID 6241128) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
PubChem CID6241128
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name(E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
SMILESCC(CCc1ccccc1)NC(=O)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO/c1-15(10-11-16-6-3-2-4-7-16)21-19(22)13-12-17-8-5-9-18(20)14-17/h2-9,12-15H,10-11H2,1H3,(H,21,22)/b13-12+
InChIKeyQEQOAPVBTOULCA-OUKQBFOZSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.49
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

N-butan-2-yl-3-(3-chlorophenyl)prop-2-enamide
CID 4106127
3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 2931488
3-(3,4-dimethoxyphenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 808594
3-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 3145412
(E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 1001333
N-[(3-chlorophenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51163645
(2R)-2-[3-(3-chlorophenyl)prop-2-enoylamino]-3-methylbutanoic acid
CID 79011048
(2R)-2-[3-(3-chlorophenyl)prop-2-enoylamino]-4-methylpentanoic acid
CID 78975676
3-(2-chloro-6-fluorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 2932986
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
(E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
CID 51417547
(E)-3-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]prop-2-enamide
CID 882618

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide (CID 6241128) is (E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide is CC(CCc1ccccc1)NC(=O)/C=C/c1cccc(Cl)c1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide?
The InChIKey is QEQOAPVBTOULCA-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-15(10-11-16-6-3-2-4-7-16)21-19(22)13-12-17-8-5-9-18(20)14-17/h2-9,12-15H,10-11H2,1H3,(H,21,22)/b13-12+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide has a molecular weight of 313.83 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide is sourced from PubChem (CID 6241128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).