N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide

C12H14ClNO — CID 166408201

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO/c1-4-12(15)14(3)9(2)10-5-7-11(13)8-6-10/h4-9H,1H2,2-3H3/t9-/m1/s1
InChIKeyNLABYEQYBIHQQJ-SECBINFHSA-N
MW223.70 g/mol
LogP3.05
Rot. Bonds3

About N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide (PubChem CID 166408201) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide
PubChem CID166408201
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO/c1-4-12(15)14(3)9(2)10-5-7-11(13)8-6-10/h4-9H,1H2,2-3H3/t9-/m1/s1
InChIKeyNLABYEQYBIHQQJ-SECBINFHSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253
(E)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-pyridin-2-ylprop-2-enamide
CID 56816677
1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea
CID 115618579
N-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide
CID 55141055
(2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929186
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 60735316
3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide
CID 76979825
6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 54870705
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 95567536
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54870564

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide (CID 166408201) is N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide?
The InChIKey is NLABYEQYBIHQQJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-4-12(15)14(3)9(2)10-5-7-11(13)8-6-10/h4-9H,1H2,2-3H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide has a molecular weight of 223.70 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 166408201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).