N-[(3,5-dichlorophenyl)carbamoyl]prop-2-enamide

C10H8Cl2N2O2 — CID 95564009

IUPACN-[(3,5-dichlorophenyl)carbamoyl]prop-2-enamide
SMILESC=CC(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H8Cl2N2O2/c1-2-9(15)14-10(16)13-8-4-6(11)3-7(12)5-8/h2-5H,1H2,(H2,13,14,15,16)
InChIKeyWZPXRXWAGYGWQW-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.83
Rot. Bonds2

About N-[(3,5-dichlorophenyl)carbamoyl]prop-2-enamide

N-[(3,5-dichlorophenyl)carbamoyl]prop-2-enamide (PubChem CID 95564009) has the molecular formula C10H8Cl2N2O2 and a molecular weight of 259.09 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)carbamoyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)carbamoyl]prop-2-enamide
PubChem CID95564009
Molecular FormulaC10H8Cl2N2O2
Molecular Weight259.09 g/mol
Exact Mass258.00
IUPAC NameN-[(3,5-dichlorophenyl)carbamoyl]prop-2-enamide
SMILESC=CC(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H8Cl2N2O2/c1-2-9(15)14-10(16)13-8-4-6(11)3-7(12)5-8/h2-5H,1H2,(H2,13,14,15,16)
InChIKeyWZPXRXWAGYGWQW-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)carbamoyl]prop-2-enamide?
The IUPAC name of N-[(3,5-dichlorophenyl)carbamoyl]prop-2-enamide (CID 95564009) is N-[(3,5-dichlorophenyl)carbamoyl]prop-2-enamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)carbamoyl]prop-2-enamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)carbamoyl]prop-2-enamide is C=CC(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)carbamoyl]prop-2-enamide?
The InChIKey is WZPXRXWAGYGWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2/c1-2-9(15)14-10(16)13-8-4-6(11)3-7(12)5-8/h2-5H,1H2,(H2,13,14,15,16).
What are the key properties of N-[(3,5-dichlorophenyl)carbamoyl]prop-2-enamide?
N-[(3,5-dichlorophenyl)carbamoyl]prop-2-enamide has a molecular weight of 259.09 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)carbamoyl]prop-2-enamide is sourced from PubChem (CID 95564009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).