N-(3-chloro-5-formylphenyl)propanamide

C10H10ClNO2 — CID 71813664

IUPACN-(3-chloro-5-formylphenyl)propanamide
SMILESCCC(=O)Nc1cc(Cl)cc(C=O)c1
InChIInChI=1S/C10H10ClNO2/c1-2-10(14)12-9-4-7(6-13)3-8(11)5-9/h3-6H,2H2,1H3,(H,12,14)
InChIKeyWHAOJBQFRFYCMG-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.50
Rot. Bonds3

About N-(3-chloro-5-formylphenyl)propanamide

N-(3-chloro-5-formylphenyl)propanamide (PubChem CID 71813664) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is N-(3-chloro-5-formylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-5-formylphenyl)propanamide
PubChem CID71813664
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC NameN-(3-chloro-5-formylphenyl)propanamide
SMILESCCC(=O)Nc1cc(Cl)cc(C=O)c1
InChIInChI=1S/C10H10ClNO2/c1-2-10(14)12-9-4-7(6-13)3-8(11)5-9/h3-6H,2H2,1H3,(H,12,14)
InChIKeyWHAOJBQFRFYCMG-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

3-chloro-5-(methylamino)benzaldehyde
CID 59897653
2-(2,6-dichloro-4-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 28913411
N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835369
N-(3,5-dichlorophenyl)nonanamide
CID 3459184
N-(3,5-dichlorophenyl)-3-(methylamino)-5-oxopentanamide;methanol;propane
CID 142024906
N-(3,5-dichlorophenyl)-4-oxopentanamide
CID 11839705
N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide
CID 60790033
N-(3,5-dichlorophenyl)-5-hydroxypentanamide
CID 79019042
N-(3-chloro-5-fluorophenyl)-3-(ethylamino)propanamide
CID 107365757
N'-butyl-N-(3,5-dichlorophenyl)-N'-methylpropanediamide
CID 108952098
methyl (Z)-3-(3,5-dichloroanilino)pent-2-enoate
CID 68542661
N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide
CID 62839661

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-formylphenyl)propanamide?
The IUPAC name of N-(3-chloro-5-formylphenyl)propanamide (CID 71813664) is N-(3-chloro-5-formylphenyl)propanamide.
What is the SMILES notation for N-(3-chloro-5-formylphenyl)propanamide?
The canonical SMILES for N-(3-chloro-5-formylphenyl)propanamide is CCC(=O)Nc1cc(Cl)cc(C=O)c1.
What is the InChIKey of N-(3-chloro-5-formylphenyl)propanamide?
The InChIKey is WHAOJBQFRFYCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-2-10(14)12-9-4-7(6-13)3-8(11)5-9/h3-6H,2H2,1H3,(H,12,14).
What are the key properties of N-(3-chloro-5-formylphenyl)propanamide?
N-(3-chloro-5-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-5-formylphenyl)propanamide is sourced from PubChem (CID 71813664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).