3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide

C12H10ClNO — CID 131848081

IUPAC3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide
SMILESC#CCNC(=O)C=Cc1ccccc1Cl
InChIInChI=1S/C12H10ClNO/c1-2-9-14-12(15)8-7-10-5-3-4-6-11(10)13/h1,3-8H,9H2,(H,14,15)
InChIKeyYHTXBEFKWFIKOF-UHFFFAOYSA-N
MW219.67 g/mol
LogP2.10
Rot. Bonds3

About 3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide

3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide (PubChem CID 131848081) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide
PubChem CID131848081
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide
SMILESC#CCNC(=O)C=Cc1ccccc1Cl
InChIInChI=1S/C12H10ClNO/c1-2-9-14-12(15)8-7-10-5-3-4-6-11(10)13/h1,3-8H,9H2,(H,14,15)
InChIKeyYHTXBEFKWFIKOF-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide
CID 39736966
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6258276
3-(2-chlorophenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2905028
(Z)-3-(2-chlorophenyl)-N-[(2R)-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 129441523
3-(2-chlorophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 77037719
3-(2-chlorophenyl)-N-undecylprop-2-enamide
CID 3474839
(E)-3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]prop-2-enamide;hydrochloride
CID 19166685
(E)-3-(2-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 9299921
(E)-3-(2-chlorophenyl)-N-[[(2R)-oxiran-2-yl]methyl]prop-2-enamide
CID 97180717
3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 3702491
(E)-3-(2-chlorophenyl)-N-pentan-2-ylprop-2-enamide
CID 6089494
2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethylpropanamide
CID 47112935

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide (CID 131848081) is 3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide is C#CCNC(=O)C=Cc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide?
The InChIKey is YHTXBEFKWFIKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c1-2-9-14-12(15)8-7-10-5-3-4-6-11(10)13/h1,3-8H,9H2,(H,14,15).
What are the key properties of 3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide?
3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide has a molecular weight of 219.67 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide is sourced from PubChem (CID 131848081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).