2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide

C15H20ClNO — CID 39365300

IUPAC2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(C(C)C)cc1)C(=O)CCl
InChIInChI=1S/C15H20ClNO/c1-4-9-17(15(18)10-16)11-13-5-7-14(8-6-13)12(2)3/h4-8,12H,1,9-11H2,2-3H3
InChIKeyFENAXTRLJUUXND-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.56
Rot. Bonds6

About 2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide

2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide (PubChem CID 39365300) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide
PubChem CID39365300
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(C(C)C)cc1)C(=O)CCl
InChIInChI=1S/C15H20ClNO/c1-4-9-17(15(18)10-16)11-13-5-7-14(8-6-13)12(2)3/h4-8,12H,1,9-11H2,2-3H3
InChIKeyFENAXTRLJUUXND-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide
CID 39349341
2-chloro-N-[(4-ethoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 39366818
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 78914551
2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol
CID 115631692
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride
CID 119741696
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 39366816
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231087
3-chloro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 115215689
2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl-prop-2-enylcarbamic acid
CID 143211613
N-benzyl-2,2-dichloro-N-prop-2-enylacetamide
CID 10083827
N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide
CID 134893638

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide (CID 39365300) is 2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide is C=CCN(Cc1ccc(C(C)C)cc1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide?
The InChIKey is FENAXTRLJUUXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-4-9-17(15(18)10-16)11-13-5-7-14(8-6-13)12(2)3/h4-8,12H,1,9-11H2,2-3H3.
What are the key properties of 2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide?
2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide has a molecular weight of 265.78 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 39365300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).