(E)-N-butan-2-yl-3-(4-chlorophenyl)pent-2-enamide

C15H20ClNO — CID 177444041

IUPAC(E)-N-butan-2-yl-3-(4-chlorophenyl)pent-2-enamide
SMILESCC/C(=C\C(=O)NC(C)CC)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO/c1-4-11(3)17-15(18)10-12(5-2)13-6-8-14(16)9-7-13/h6-11H,4-5H2,1-3H3,(H,17,18)/b12-10+
InChIKeyZWQTVZHJGBRMKQ-ZRDIBKRKSA-N
MW265.78 g/mol
LogP4.05
Rot. Bonds5

About (E)-N-butan-2-yl-3-(4-chlorophenyl)pent-2-enamide

(E)-N-butan-2-yl-3-(4-chlorophenyl)pent-2-enamide (PubChem CID 177444041) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is (E)-N-butan-2-yl-3-(4-chlorophenyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-N-butan-2-yl-3-(4-chlorophenyl)pent-2-enamide
PubChem CID177444041
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name(E)-N-butan-2-yl-3-(4-chlorophenyl)pent-2-enamide
SMILESCC/C(=C\C(=O)NC(C)CC)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO/c1-4-11(3)17-15(18)10-12(5-2)13-6-8-14(16)9-7-13/h6-11H,4-5H2,1-3H3,(H,17,18)/b12-10+
InChIKeyZWQTVZHJGBRMKQ-ZRDIBKRKSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.05
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)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide
CID 110306939
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide
CID 60634738
(E)-N-butan-2-yl-3-[5-chloro-1-[(4-chlorophenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enamide
CID 55334914
3-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-one
CID 112510179
3-[2-(4-bromobenzoyl)hydrazinyl]-N-butan-2-ylbut-2-enamide
CID 4130263
N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 7816591
N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
CID 722549
N-butan-2-yl-2-(4-chlorophenyl)sulfanylacetamide
CID 3139102
N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354162
N-butan-2-yl-3-(3-chlorophenyl)prop-2-enamide
CID 4106127
N-butan-2-yl-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propanamide
CID 81352053
N-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108958264

Frequently Asked Questions

What is the IUPAC name of (E)-N-butan-2-yl-3-(4-chlorophenyl)pent-2-enamide?
The IUPAC name of (E)-N-butan-2-yl-3-(4-chlorophenyl)pent-2-enamide (CID 177444041) is (E)-N-butan-2-yl-3-(4-chlorophenyl)pent-2-enamide.
What is the SMILES notation for (E)-N-butan-2-yl-3-(4-chlorophenyl)pent-2-enamide?
The canonical SMILES for (E)-N-butan-2-yl-3-(4-chlorophenyl)pent-2-enamide is CC/C(=C\C(=O)NC(C)CC)c1ccc(Cl)cc1.
What is the InChIKey of (E)-N-butan-2-yl-3-(4-chlorophenyl)pent-2-enamide?
The InChIKey is ZWQTVZHJGBRMKQ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-4-11(3)17-15(18)10-12(5-2)13-6-8-14(16)9-7-13/h6-11H,4-5H2,1-3H3,(H,17,18)/b12-10+.
What are the key properties of (E)-N-butan-2-yl-3-(4-chlorophenyl)pent-2-enamide?
(E)-N-butan-2-yl-3-(4-chlorophenyl)pent-2-enamide has a molecular weight of 265.78 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butan-2-yl-3-(4-chlorophenyl)pent-2-enamide is sourced from PubChem (CID 177444041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).