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

C12H15ClN2O4 — CID 110687101

IUPAC2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNC(C)=O)c(OC)cc1Cl
InChIInChI=1S/C12H15ClN2O4/c1-7(16)14-6-12(17)15-9-5-10(18-2)8(13)4-11(9)19-3/h4-5H,6H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyKMCDPUKEPUVUPY-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.43
Rot. Bonds5

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

2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (PubChem CID 110687101) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
PubChem CID110687101
Molecular FormulaC12H15ClN2O4
Molecular Weight286.72 g/mol
Exact Mass286.07
IUPAC Name2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNC(C)=O)c(OC)cc1Cl
InChIInChI=1S/C12H15ClN2O4/c1-7(16)14-6-12(17)15-9-5-10(18-2)8(13)4-11(9)19-3/h4-5H,6H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyKMCDPUKEPUVUPY-UHFFFAOYSA-N
XLogP1.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide
CID 113001547
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 113001550
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 113001558
N-[2-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]ethyl]acetamide
CID 3846042
N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide
CID 113001569
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 113001562
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dichloroanilino)acetamide
CID 42026344
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 47205603
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954485
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 8501521

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (CID 110687101) is 2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CNC(C)=O)c(OC)cc1Cl.
What is the InChIKey of 2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The InChIKey is KMCDPUKEPUVUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-7(16)14-6-12(17)15-9-5-10(18-2)8(13)4-11(9)19-3/h4-5H,6H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide has a molecular weight of 286.72 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 110687101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).