N-[2-[(3-chlorophenyl)methyl]prop-2-enyl]-N-methylacetamide

C13H16ClNO — CID 91452440

IUPACN-[2-[(3-chlorophenyl)methyl]prop-2-enyl]-N-methylacetamide
SMILESC=C(Cc1cccc(Cl)c1)CN(C)C(C)=O
InChIInChI=1S/C13H16ClNO/c1-10(9-15(3)11(2)16)7-12-5-4-6-13(14)8-12/h4-6,8H,1,7,9H2,2-3H3
InChIKeyIRXIDXOMEXGMSH-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.92
Rot. Bonds4

About N-[2-[(3-chlorophenyl)methyl]prop-2-enyl]-N-methylacetamide

N-[2-[(3-chlorophenyl)methyl]prop-2-enyl]-N-methylacetamide (PubChem CID 91452440) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methyl]prop-2-enyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methyl]prop-2-enyl]-N-methylacetamide
PubChem CID91452440
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC NameN-[2-[(3-chlorophenyl)methyl]prop-2-enyl]-N-methylacetamide
SMILESC=C(Cc1cccc(Cl)c1)CN(C)C(C)=O
InChIInChI=1S/C13H16ClNO/c1-10(9-15(3)11(2)16)7-12-5-4-6-13(14)8-12/h4-6,8H,1,7,9H2,2-3H3
InChIKeyIRXIDXOMEXGMSH-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 2734097
(Z)-1-(3-chlorophenyl)hex-3-ene-2,5-dione
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1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate
CID 60615788
N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43692106
acetic acid;(3-chlorophenyl)methanamine
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CID 59128725
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
2-(3-chlorophenyl)-N-[2-(dimethylamino)phenyl]acetamide
CID 53384824
1-[(3-chlorophenyl)methyl-methylamino]-3-methylbutan-2-one
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3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one
CID 116548985
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide
CID 42819011

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methyl]prop-2-enyl]-N-methylacetamide?
The IUPAC name of N-[2-[(3-chlorophenyl)methyl]prop-2-enyl]-N-methylacetamide (CID 91452440) is N-[2-[(3-chlorophenyl)methyl]prop-2-enyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methyl]prop-2-enyl]-N-methylacetamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)methyl]prop-2-enyl]-N-methylacetamide is C=C(Cc1cccc(Cl)c1)CN(C)C(C)=O.
What is the InChIKey of N-[2-[(3-chlorophenyl)methyl]prop-2-enyl]-N-methylacetamide?
The InChIKey is IRXIDXOMEXGMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-10(9-15(3)11(2)16)7-12-5-4-6-13(14)8-12/h4-6,8H,1,7,9H2,2-3H3.
What are the key properties of N-[2-[(3-chlorophenyl)methyl]prop-2-enyl]-N-methylacetamide?
N-[2-[(3-chlorophenyl)methyl]prop-2-enyl]-N-methylacetamide has a molecular weight of 237.73 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methyl]prop-2-enyl]-N-methylacetamide is sourced from PubChem (CID 91452440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).