N-(5-chloro-2,4-dimethoxyphenyl)propanamide

C11H14ClNO3 — CID 836289

IUPACN-(5-chloro-2,4-dimethoxyphenyl)propanamide
SMILESCCC(=O)Nc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C11H14ClNO3/c1-4-11(14)13-8-5-7(12)9(15-2)6-10(8)16-3/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeySWCIDIOQBZZUPT-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.71
Rot. Bonds4

About N-(5-chloro-2,4-dimethoxyphenyl)propanamide

N-(5-chloro-2,4-dimethoxyphenyl)propanamide (PubChem CID 836289) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)propanamide
PubChem CID836289
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)propanamide
SMILESCCC(=O)Nc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C11H14ClNO3/c1-4-11(14)13-8-5-7(12)9(15-2)6-10(8)16-3/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeySWCIDIOQBZZUPT-UHFFFAOYSA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-2,4-dimethoxyaniline
CID 66807
N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide
CID 98791
Acetamide, N-(3-chloro-4-methoxyphenyl)-
CID 23474
Acetamide, N-(2,4-dimethoxyphenyl)-
CID 89972
Butanamide, N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-
CID 85565
N-(5-Chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
N-(5-chloro-2,4-dimethoxyphenyl)-2-phenylbutanamide
CID 2922753
4-(5-Chloro-2,4-dimethoxyanilino)-4-oxobut-2-enoic acid
CID 5713502
N-(2,4-dimethoxyphenyl)propanamide
CID 699704
N-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide
CID 886049
Urea, 1-(2-chloroethyl)-3-(5-chloro-2,4-dimethoxyphenyl)-
CID 293486
1-Chloro-5-isocyanato-2,4-dimethoxybenzene
CID 4389804

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)propanamide (CID 836289) is N-(5-chloro-2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)propanamide is CCC(=O)Nc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)propanamide?
The InChIKey is SWCIDIOQBZZUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-4-11(14)13-8-5-7(12)9(15-2)6-10(8)16-3/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)propanamide?
N-(5-chloro-2,4-dimethoxyphenyl)propanamide has a molecular weight of 243.69 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 836289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).