N-[2-(3-chlorophenyl)ethyl]prop-2-enamide

C11H12ClNO — CID 43616522

IUPACN-[2-(3-chlorophenyl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C11H12ClNO/c1-2-11(14)13-7-6-9-4-3-5-10(12)8-9/h2-5,8H,1,6-7H2,(H,13,14)
InChIKeyOISYAVUDLNOMOW-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.18
Rot. Bonds4

About N-[2-(3-chlorophenyl)ethyl]prop-2-enamide

N-[2-(3-chlorophenyl)ethyl]prop-2-enamide (PubChem CID 43616522) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]prop-2-enamide
PubChem CID43616522
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC NameN-[2-(3-chlorophenyl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C11H12ClNO/c1-2-11(14)13-7-6-9-4-3-5-10(12)8-9/h2-5,8H,1,6-7H2,(H,13,14)
InChIKeyOISYAVUDLNOMOW-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.18
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

N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
2-(3-chlorophenyl)ethylurea
CID 127513466
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 5056399
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
(E)-3-(2-chloro-6-fluorophenyl)-N-[2-(3-chlorophenyl)ethyl]prop-2-enamide
CID 898247
1-[2-(3-chlorophenyl)ethyl]-2-methyl-3-prop-2-enylguanidine
CID 110982259
N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide
CID 109006882
1-[2-(3-chlorophenyl)ethyl]-3-(2-cyanoethyl)urea
CID 108901546

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]prop-2-enamide (CID 43616522) is N-[2-(3-chlorophenyl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]prop-2-enamide is C=CC(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]prop-2-enamide?
The InChIKey is OISYAVUDLNOMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-2-11(14)13-7-6-9-4-3-5-10(12)8-9/h2-5,8H,1,6-7H2,(H,13,14).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]prop-2-enamide?
N-[2-(3-chlorophenyl)ethyl]prop-2-enamide has a molecular weight of 209.68 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 43616522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).