(Z)-3-(4-chlorophenyl)-N-cyclopropyl-2-methylbut-2-enamide

C14H16ClNO — CID 3033186

IUPAC(Z)-3-(4-chlorophenyl)-N-cyclopropyl-2-methylbut-2-enamide
SMILESC/C(C(=O)NC1CC1)=C(\C)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO/c1-9(11-3-5-12(15)6-4-11)10(2)14(17)16-13-7-8-13/h3-6,13H,7-8H2,1-2H3,(H,16,17)/b10-9-
InChIKeySDHSWSFAQOTVMR-KTKRTIGZSA-N
MW249.74 g/mol
LogP3.41
Rot. Bonds3

About (Z)-3-(4-chlorophenyl)-N-cyclopropyl-2-methylbut-2-enamide

(Z)-3-(4-chlorophenyl)-N-cyclopropyl-2-methylbut-2-enamide (PubChem CID 3033186) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is (Z)-3-(4-chlorophenyl)-N-cyclopropyl-2-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-chlorophenyl)-N-cyclopropyl-2-methylbut-2-enamide
PubChem CID3033186
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name(Z)-3-(4-chlorophenyl)-N-cyclopropyl-2-methylbut-2-enamide
SMILESC/C(C(=O)NC1CC1)=C(\C)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO/c1-9(11-3-5-12(15)6-4-11)10(2)14(17)16-13-7-8-13/h3-6,13H,7-8H2,1-2H3,(H,16,17)/b10-9-
InChIKeySDHSWSFAQOTVMR-KTKRTIGZSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.41
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

CID 449402
CID 449402
CID 153847
CID 153847
CID 44288646
CID 44288646
CID 2290457
CID 2290457
CID 692594
CID 692594
CID 875700
CID 875700
CID 882084
CID 882084
CID 9877644
CID 9877644
CID 2169936
CID 2169936
CID 42116
CID 42116
CID 692389
CID 692389
CID 884882
CID 884882

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-chlorophenyl)-N-cyclopropyl-2-methylbut-2-enamide?
The IUPAC name of (Z)-3-(4-chlorophenyl)-N-cyclopropyl-2-methylbut-2-enamide (CID 3033186) is (Z)-3-(4-chlorophenyl)-N-cyclopropyl-2-methylbut-2-enamide.
What is the SMILES notation for (Z)-3-(4-chlorophenyl)-N-cyclopropyl-2-methylbut-2-enamide?
The canonical SMILES for (Z)-3-(4-chlorophenyl)-N-cyclopropyl-2-methylbut-2-enamide is C/C(C(=O)NC1CC1)=C(\C)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-3-(4-chlorophenyl)-N-cyclopropyl-2-methylbut-2-enamide?
The InChIKey is SDHSWSFAQOTVMR-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-9(11-3-5-12(15)6-4-11)10(2)14(17)16-13-7-8-13/h3-6,13H,7-8H2,1-2H3,(H,16,17)/b10-9-.
What are the key properties of (Z)-3-(4-chlorophenyl)-N-cyclopropyl-2-methylbut-2-enamide?
(Z)-3-(4-chlorophenyl)-N-cyclopropyl-2-methylbut-2-enamide has a molecular weight of 249.74 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-chlorophenyl)-N-cyclopropyl-2-methylbut-2-enamide is sourced from PubChem (CID 3033186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).