(E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4-dichlorophenyl)prop-2-enamide

C14H15Cl2NO — CID 9478763

IUPAC(E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESC[C@@H](NC(=O)/C=C/c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C14H15Cl2NO/c1-9(11-4-5-11)17-14(18)7-3-10-2-6-12(15)13(16)8-10/h2-3,6-9,11H,4-5H2,1H3,(H,17,18)/b7-3+/t9-/m1/s1
InChIKeyONKPUPUCYSNAOS-XKEGTWDPSA-N
MW284.19 g/mol
LogP3.92
Rot. Bonds4

About (E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4-dichlorophenyl)prop-2-enamide

(E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4-dichlorophenyl)prop-2-enamide (PubChem CID 9478763) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is (E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4-dichlorophenyl)prop-2-enamide
PubChem CID9478763
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC Name(E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESC[C@@H](NC(=O)/C=C/c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C14H15Cl2NO/c1-9(11-4-5-11)17-14(18)7-3-10-2-6-12(15)13(16)8-10/h2-3,6-9,11H,4-5H2,1H3,(H,17,18)/b7-3+/t9-/m1/s1
InChIKeyONKPUPUCYSNAOS-XKEGTWDPSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.92
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)-N-[(2S)-butan-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 896104
(E)-1-(3,4-dichlorophenyl)-4-methylpent-1-en-3-one
CID 6284815
N-[1-(1-adamantyl)ethyl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 3301196
(E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6176554
(E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide
CID 115344773
(E)-3-(3,4-dichlorophenyl)-N-(3-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 115884397
(E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8855453
methyl 2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 43407087
3-(3,4-dichlorophenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]prop-2-enamide
CID 72687144
3-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 3403410
(Z)-N-[(2S)-butan-2-yl]-3-(3-chloro-4-methylphenyl)prop-2-enamide
CID 97304937
(E)-3-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)prop-2-enamide
CID 78772179

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4-dichlorophenyl)prop-2-enamide (CID 9478763) is (E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4-dichlorophenyl)prop-2-enamide is C[C@@H](NC(=O)/C=C/c1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of (E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4-dichlorophenyl)prop-2-enamide?
The InChIKey is ONKPUPUCYSNAOS-XKEGTWDPSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c1-9(11-4-5-11)17-14(18)7-3-10-2-6-12(15)13(16)8-10/h2-3,6-9,11H,4-5H2,1H3,(H,17,18)/b7-3+/t9-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4-dichlorophenyl)prop-2-enamide?
(E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4-dichlorophenyl)prop-2-enamide has a molecular weight of 284.19 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 9478763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).