2-[4-chloro-2-[(E)-pent-2-en-2-yl]anilino]prop-2-enamide

C14H17ClN2O — CID 142198094

IUPAC2-[4-chloro-2-[(E)-pent-2-en-2-yl]anilino]prop-2-enamide
SMILESC=C(Nc1ccc(Cl)cc1/C(C)=C/CC)C(N)=O
InChIInChI=1S/C14H17ClN2O/c1-4-5-9(2)12-8-11(15)6-7-13(12)17-10(3)14(16)18/h5-8,17H,3-4H2,1-2H3,(H2,16,18)/b9-5+
InChIKeyHDANTRPTQSOBDD-WEVVVXLNSA-N
MW264.76 g/mol
LogP3.56
Rot. Bonds5

About 2-[4-chloro-2-[(E)-pent-2-en-2-yl]anilino]prop-2-enamide

2-[4-chloro-2-[(E)-pent-2-en-2-yl]anilino]prop-2-enamide (PubChem CID 142198094) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-[4-chloro-2-[(E)-pent-2-en-2-yl]anilino]prop-2-enamide.

Molecular Properties

Compound Name2-[4-chloro-2-[(E)-pent-2-en-2-yl]anilino]prop-2-enamide
PubChem CID142198094
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-[4-chloro-2-[(E)-pent-2-en-2-yl]anilino]prop-2-enamide
SMILESC=C(Nc1ccc(Cl)cc1/C(C)=C/CC)C(N)=O
InChIInChI=1S/C14H17ClN2O/c1-4-5-9(2)12-8-11(15)6-7-13(12)17-10(3)14(16)18/h5-8,17H,3-4H2,1-2H3,(H2,16,18)/b9-5+
InChIKeyHDANTRPTQSOBDD-WEVVVXLNSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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5-chloro-2-(3-methylbut-2-enoylamino)benzoic acid
CID 29069723
methyl 2-[[(2S)-2-amino-3-methylpentanoyl]amino]-5-chlorobenzoate
CID 61173703
methyl 2-[(2-amino-2-ethylbutanoyl)amino]-5-chlorobenzoate
CID 79809249
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-chlorobenzoic acid
CID 61202417
N-(5-chloro-2-prop-1-en-2-ylphenyl)acetamide
CID 11229567
5-chloro-2-[3-(prop-2-enoylamino)propanoylamino]benzamide
CID 166413380
5-chloro-2-(1,2,2-tricyanoethenylamino)benzamide
CID 168610806
2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide
CID 119284267
5-chloro-2-[(4-methylbenzoyl)amino]benzamide
CID 46934109

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(E)-pent-2-en-2-yl]anilino]prop-2-enamide?
The IUPAC name of 2-[4-chloro-2-[(E)-pent-2-en-2-yl]anilino]prop-2-enamide (CID 142198094) is 2-[4-chloro-2-[(E)-pent-2-en-2-yl]anilino]prop-2-enamide.
What is the SMILES notation for 2-[4-chloro-2-[(E)-pent-2-en-2-yl]anilino]prop-2-enamide?
The canonical SMILES for 2-[4-chloro-2-[(E)-pent-2-en-2-yl]anilino]prop-2-enamide is C=C(Nc1ccc(Cl)cc1/C(C)=C/CC)C(N)=O.
What is the InChIKey of 2-[4-chloro-2-[(E)-pent-2-en-2-yl]anilino]prop-2-enamide?
The InChIKey is HDANTRPTQSOBDD-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-4-5-9(2)12-8-11(15)6-7-13(12)17-10(3)14(16)18/h5-8,17H,3-4H2,1-2H3,(H2,16,18)/b9-5+.
What are the key properties of 2-[4-chloro-2-[(E)-pent-2-en-2-yl]anilino]prop-2-enamide?
2-[4-chloro-2-[(E)-pent-2-en-2-yl]anilino]prop-2-enamide has a molecular weight of 264.76 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(E)-pent-2-en-2-yl]anilino]prop-2-enamide is sourced from PubChem (CID 142198094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).