N-(3-chloro-2-formylphenyl)propanamide

C10H10ClNO2 — CID 159798849

IUPACN-(3-chloro-2-formylphenyl)propanamide
SMILESCCC(=O)Nc1cccc(Cl)c1C=O
InChIInChI=1S/C10H10ClNO2/c1-2-10(14)12-9-5-3-4-8(11)7(9)6-13/h3-6H,2H2,1H3,(H,12,14)
InChIKeyHOZCDBLFUYFQTE-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.50
Rot. Bonds3

About N-(3-chloro-2-formylphenyl)propanamide

N-(3-chloro-2-formylphenyl)propanamide (PubChem CID 159798849) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is N-(3-chloro-2-formylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-formylphenyl)propanamide
PubChem CID159798849
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC NameN-(3-chloro-2-formylphenyl)propanamide
SMILESCCC(=O)Nc1cccc(Cl)c1C=O
InChIInChI=1S/C10H10ClNO2/c1-2-10(14)12-9-5-3-4-8(11)7(9)6-13/h3-6H,2H2,1H3,(H,12,14)
InChIKeyHOZCDBLFUYFQTE-UHFFFAOYSA-N
XLogP2.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-hydroxyphenyl)propanamide
CID 11206429
N-(2-chloro-3-methylphenyl)propanamide
CID 130161458
N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide
CID 4308425
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54810419
N-(3-chloro-2-piperidin-1-ylphenyl)propanamide
CID 4297017
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 6875652
2,6-dichlorobenzaldehyde;ethane
CID 90823593
N-(2-acetamidophenyl)propanamide
CID 885895
N-[3-[[2-(2-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833047
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54815126

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-formylphenyl)propanamide?
The IUPAC name of N-(3-chloro-2-formylphenyl)propanamide (CID 159798849) is N-(3-chloro-2-formylphenyl)propanamide.
What is the SMILES notation for N-(3-chloro-2-formylphenyl)propanamide?
The canonical SMILES for N-(3-chloro-2-formylphenyl)propanamide is CCC(=O)Nc1cccc(Cl)c1C=O.
What is the InChIKey of N-(3-chloro-2-formylphenyl)propanamide?
The InChIKey is HOZCDBLFUYFQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-2-10(14)12-9-5-3-4-8(11)7(9)6-13/h3-6H,2H2,1H3,(H,12,14).
What are the key properties of N-(3-chloro-2-formylphenyl)propanamide?
N-(3-chloro-2-formylphenyl)propanamide has a molecular weight of 211.65 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-formylphenyl)propanamide is sourced from PubChem (CID 159798849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).