4-(3-chloro-4-methoxyphenyl)but-3-enamide

C11H12ClNO2 — CID 170797760

IUPAC4-(3-chloro-4-methoxyphenyl)but-3-enamide
SMILESCOc1ccc(C=CCC(N)=O)cc1Cl
InChIInChI=1S/C11H12ClNO2/c1-15-10-6-5-8(7-9(10)12)3-2-4-11(13)14/h2-3,5-7H,4H2,1H3,(H2,13,14)
InChIKeyVOSGLZRFBZODLV-UHFFFAOYSA-N
MW225.67 g/mol
LogP2.24
Rot. Bonds4

About 4-(3-chloro-4-methoxyphenyl)but-3-enamide

4-(3-chloro-4-methoxyphenyl)but-3-enamide (PubChem CID 170797760) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)but-3-enamide.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)but-3-enamide
PubChem CID170797760
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Name4-(3-chloro-4-methoxyphenyl)but-3-enamide
SMILESCOc1ccc(C=CCC(N)=O)cc1Cl
InChIInChI=1S/C11H12ClNO2/c1-15-10-6-5-8(7-9(10)12)3-2-4-11(13)14/h2-3,5-7H,4H2,1H3,(H2,13,14)
InChIKeyVOSGLZRFBZODLV-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloro-4-methoxyphenyl)but-3-enal
CID 91126209
methyl 4-(4-amino-4-oxobut-1-enyl)-2-methoxybenzoate
CID 170798773
(E)-4-(3-chloro-4-methoxyphenyl)but-3-en-2-one
CID 65021560
(Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 131431095
4-(3,5-dichloro-4-fluorophenyl)but-3-enamide
CID 170797705
[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate
CID 5387771
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
S-[3-(4-chloro-3-methoxyphenyl)prop-2-enyl] ethanethioate
CID 169457080
methyl 5-(4-amino-4-oxobut-1-enyl)-2-methylbenzoate
CID 170798449
3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334564
4-(2-methoxyphenyl)but-3-enamide
CID 170797506
methyl 3-(4-amino-4-oxobut-1-enyl)-4-methoxybenzoate
CID 170798767

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)but-3-enamide?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)but-3-enamide (CID 170797760) is 4-(3-chloro-4-methoxyphenyl)but-3-enamide.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)but-3-enamide?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)but-3-enamide is COc1ccc(C=CCC(N)=O)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)but-3-enamide?
The InChIKey is VOSGLZRFBZODLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-15-10-6-5-8(7-9(10)12)3-2-4-11(13)14/h2-3,5-7H,4H2,1H3,(H2,13,14).
What are the key properties of 4-(3-chloro-4-methoxyphenyl)but-3-enamide?
4-(3-chloro-4-methoxyphenyl)but-3-enamide has a molecular weight of 225.67 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)but-3-enamide is sourced from PubChem (CID 170797760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).