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

C10H12ClNO3 — CID 793486

IUPACN-(5-chloro-2,4-dimethoxyphenyl)acetamide
SMILESCOc1cc(OC)c(NC(C)=O)cc1Cl
InChIInChI=1S/C10H12ClNO3/c1-6(13)12-8-4-7(11)9(14-2)5-10(8)15-3/h4-5H,1-3H3,(H,12,13)
InChIKeyBNHPGZHAXVLMKZ-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.32
Rot. Bonds3

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

N-(5-chloro-2,4-dimethoxyphenyl)acetamide (PubChem CID 793486) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)acetamide
PubChem CID793486
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)acetamide
SMILESCOc1cc(OC)c(NC(C)=O)cc1Cl
InChIInChI=1S/C10H12ClNO3/c1-6(13)12-8-4-7(11)9(14-2)5-10(8)15-3/h4-5H,1-3H3,(H,12,13)
InChIKeyBNHPGZHAXVLMKZ-UHFFFAOYSA-N
XLogP2.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-2,4-dimethoxyaniline
CID 66807
6-Hydroxychlorzoxazone
CID 2734
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-(3-chloro-4-ethoxyphenyl)acetamide
CID 13799749
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)-3-methyl-2-butenamide
CID 731858
N-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide
CID 886049
Urea, 1-(2-chloroethyl)-3-(5-chloro-2,4-dimethoxyphenyl)-
CID 293486

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)acetamide (CID 793486) is N-(5-chloro-2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)acetamide is COc1cc(OC)c(NC(C)=O)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
The InChIKey is BNHPGZHAXVLMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-6(13)12-8-4-7(11)9(14-2)5-10(8)15-3/h4-5H,1-3H3,(H,12,13).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)acetamide has a molecular weight of 229.66 g/mol, XLogP of 2.32, 3 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)acetamide is sourced from PubChem (CID 793486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).