2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide

C10H9Cl2NO — CID 131001051

IUPAC2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide
SMILESC=C(Cl)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C10H9Cl2NO/c1-6-3-4-8(12)5-9(6)13-10(14)7(2)11/h3-5H,2H2,1H3,(H,13,14)
InChIKeyNWCXUAPHQYKNSW-UHFFFAOYSA-N
MW230.09 g/mol
LogP3.34
Rot. Bonds2

About 2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide

2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide (PubChem CID 131001051) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide
PubChem CID131001051
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide
SMILESC=C(Cl)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C10H9Cl2NO/c1-6-3-4-8(12)5-9(6)13-10(14)7(2)11/h3-5H,2H2,1H3,(H,13,14)
InChIKeyNWCXUAPHQYKNSW-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 53.34
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(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide
CID 113268604
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
CID 108511873
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 108511860
N-(5-chloro-2-methylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 56698653
N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
CID 675121
(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
CID 94063637
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
(1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98197726
N'-(5-chloro-2-methylphenyl)-N-(3-fluorophenyl)oxamide
CID 108511843
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337573

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide?
The IUPAC name of 2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide (CID 131001051) is 2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide.
What is the SMILES notation for 2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide?
The canonical SMILES for 2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide is C=C(Cl)C(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of 2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide?
The InChIKey is NWCXUAPHQYKNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c1-6-3-4-8(12)5-9(6)13-10(14)7(2)11/h3-5H,2H2,1H3,(H,13,14).
What are the key properties of 2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide?
2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide has a molecular weight of 230.09 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 131001051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).