N-(2-chloro-4-formyl-5-methoxyphenyl)propanamide

C11H12ClNO3 — CID 87134854

IUPACN-(2-chloro-4-formyl-5-methoxyphenyl)propanamide
SMILESCCC(=O)Nc1cc(OC)c(C=O)cc1Cl
InChIInChI=1S/C11H12ClNO3/c1-3-11(15)13-9-5-10(16-2)7(6-14)4-8(9)12/h4-6H,3H2,1-2H3,(H,13,15)
InChIKeyWQKXRZPOFXBKEZ-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.51
Rot. Bonds4

About N-(2-chloro-4-formyl-5-methoxyphenyl)propanamide

N-(2-chloro-4-formyl-5-methoxyphenyl)propanamide (PubChem CID 87134854) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is N-(2-chloro-4-formyl-5-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-formyl-5-methoxyphenyl)propanamide
PubChem CID87134854
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC NameN-(2-chloro-4-formyl-5-methoxyphenyl)propanamide
SMILESCCC(=O)Nc1cc(OC)c(C=O)cc1Cl
InChIInChI=1S/C11H12ClNO3/c1-3-11(15)13-9-5-10(16-2)7(6-14)4-8(9)12/h4-6H,3H2,1-2H3,(H,13,15)
InChIKeyWQKXRZPOFXBKEZ-UHFFFAOYSA-N
XLogP2.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
N-(2-chloro-4-formyl-5-methoxyphenyl)-5-(methylamino)pentanamide;2,2,2-trifluoroacetic acid
CID 129032574
N-(2-chloro-4,5-diethoxyphenyl)propanamide
CID 852887
[1-[3-(2-chloro-4-formyl-5-methoxyanilino)-3-oxopropyl]piperidin-4-yl] carbamate
CID 130196623
N-[2-chloro-5-methoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 23513212
[4-[4-(2-chloro-4-formyl-5-methoxyanilino)-4-oxobutyl]phenyl] cyclohexanecarboxylate
CID 154036763
N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 18139937
N-(2-methoxy-4,5-dimethylphenyl)propanamide
CID 110776816
5-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanoyl-methylamino]-N-(2-chloro-4-formyl-5-methoxyphenyl)pentanamide
CID 129054897
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide
CID 43040630
N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281493

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-formyl-5-methoxyphenyl)propanamide?
The IUPAC name of N-(2-chloro-4-formyl-5-methoxyphenyl)propanamide (CID 87134854) is N-(2-chloro-4-formyl-5-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-chloro-4-formyl-5-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-chloro-4-formyl-5-methoxyphenyl)propanamide is CCC(=O)Nc1cc(OC)c(C=O)cc1Cl.
What is the InChIKey of N-(2-chloro-4-formyl-5-methoxyphenyl)propanamide?
The InChIKey is WQKXRZPOFXBKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-3-11(15)13-9-5-10(16-2)7(6-14)4-8(9)12/h4-6H,3H2,1-2H3,(H,13,15).
What are the key properties of N-(2-chloro-4-formyl-5-methoxyphenyl)propanamide?
N-(2-chloro-4-formyl-5-methoxyphenyl)propanamide has a molecular weight of 241.67 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-formyl-5-methoxyphenyl)propanamide is sourced from PubChem (CID 87134854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).