3-(2-amino-6-chlorophenyl)prop-2-enamide

C9H9ClN2O — CID 169481544

IUPAC3-(2-amino-6-chlorophenyl)prop-2-enamide
SMILESNC(=O)C=Cc1c(N)cccc1Cl
InChIInChI=1S/C9H9ClN2O/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,11H2,(H2,12,13)
InChIKeyFBMJBFJAFXJWJS-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.42
Rot. Bonds2

About 3-(2-amino-6-chlorophenyl)prop-2-enamide

3-(2-amino-6-chlorophenyl)prop-2-enamide (PubChem CID 169481544) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 3-(2-amino-6-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-amino-6-chlorophenyl)prop-2-enamide
PubChem CID169481544
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name3-(2-amino-6-chlorophenyl)prop-2-enamide
SMILESNC(=O)C=Cc1c(N)cccc1Cl
InChIInChI=1S/C9H9ClN2O/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,11H2,(H2,12,13)
InChIKeyFBMJBFJAFXJWJS-UHFFFAOYSA-N
XLogP1.42
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-chlorophenyl)prop-2-enamide?
The IUPAC name of 3-(2-amino-6-chlorophenyl)prop-2-enamide (CID 169481544) is 3-(2-amino-6-chlorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(2-amino-6-chlorophenyl)prop-2-enamide?
The canonical SMILES for 3-(2-amino-6-chlorophenyl)prop-2-enamide is NC(=O)C=Cc1c(N)cccc1Cl.
What is the InChIKey of 3-(2-amino-6-chlorophenyl)prop-2-enamide?
The InChIKey is FBMJBFJAFXJWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,11H2,(H2,12,13).
What are the key properties of 3-(2-amino-6-chlorophenyl)prop-2-enamide?
3-(2-amino-6-chlorophenyl)prop-2-enamide has a molecular weight of 196.64 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 169481544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).