N-[[3-(2-chlorophenoxy)phenyl]methyl]prop-2-enamide

C16H14ClNO2 — CID 146095228

IUPACN-[[3-(2-chlorophenoxy)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cccc(Oc2ccccc2Cl)c1
InChIInChI=1S/C16H14ClNO2/c1-2-16(19)18-11-12-6-5-7-13(10-12)20-15-9-4-3-8-14(15)17/h2-10H,1,11H2,(H,18,19)
InChIKeyIDOJEGALMXWSIP-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.93
Rot. Bonds5

About N-[[3-(2-chlorophenoxy)phenyl]methyl]prop-2-enamide

N-[[3-(2-chlorophenoxy)phenyl]methyl]prop-2-enamide (PubChem CID 146095228) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[[3-(2-chlorophenoxy)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[3-(2-chlorophenoxy)phenyl]methyl]prop-2-enamide
PubChem CID146095228
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC NameN-[[3-(2-chlorophenoxy)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cccc(Oc2ccccc2Cl)c1
InChIInChI=1S/C16H14ClNO2/c1-2-16(19)18-11-12-6-5-7-13(10-12)20-15-9-4-3-8-14(15)17/h2-10H,1,11H2,(H,18,19)
InChIKeyIDOJEGALMXWSIP-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[3-(2-chlorophenoxy)phenyl]methyl]prop-2-enamide 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

N-[[3-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 63944074
N-[[3-[2-amino-4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]prop-2-enamide
CID 129142730
3-[(prop-2-enoylamino)methyl]benzamide
CID 61250831
N-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide
CID 166421835
[3-[(prop-2-enoylamino)methyl]phenyl]carbamic acid
CID 138682583
N-[2-(2-chlorophenoxy)butyl]prop-2-enamide
CID 146089833
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251
2-(2-chlorophenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46590568
N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide
CID 7492331
1-[3-(2-chlorophenoxy)phenyl]butan-2-amine
CID 63941363
(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide
CID 90596212
4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596467

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenoxy)phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[[3-(2-chlorophenoxy)phenyl]methyl]prop-2-enamide (CID 146095228) is N-[[3-(2-chlorophenoxy)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[3-(2-chlorophenoxy)phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[3-(2-chlorophenoxy)phenyl]methyl]prop-2-enamide is C=CC(=O)NCc1cccc(Oc2ccccc2Cl)c1.
What is the InChIKey of N-[[3-(2-chlorophenoxy)phenyl]methyl]prop-2-enamide?
The InChIKey is IDOJEGALMXWSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-2-16(19)18-11-12-6-5-7-13(10-12)20-15-9-4-3-8-14(15)17/h2-10H,1,11H2,(H,18,19).
What are the key properties of N-[[3-(2-chlorophenoxy)phenyl]methyl]prop-2-enamide?
N-[[3-(2-chlorophenoxy)phenyl]methyl]prop-2-enamide has a molecular weight of 287.75 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorophenoxy)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 146095228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).