N-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide

C18H19ClN2O3 — CID 110783955

IUPACN-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccccc2Cl)cc1NC(C)=O
InChIInChI=1S/C18H19ClN2O3/c1-12(22)21-16-9-13(7-8-17(16)24-2)11-20-18(23)10-14-5-3-4-6-15(14)19/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyGXGYBBDQTAMFAV-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.17
Rot. Bonds6

About N-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide

N-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide (PubChem CID 110783955) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
PubChem CID110783955
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccccc2Cl)cc1NC(C)=O
InChIInChI=1S/C18H19ClN2O3/c1-12(22)21-16-9-13(7-8-17(16)24-2)11-20-18(23)10-14-5-3-4-6-15(14)19/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyGXGYBBDQTAMFAV-UHFFFAOYSA-N
XLogP3.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide
CID 13465084
N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide
CID 110783895
N-[(5-acetamido-2-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
CID 110784166
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)acetamide
CID 2666806
N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide
CID 110790237
methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate
CID 100633924
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041
N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 109021346
N-[2-methoxy-5-[[[N-[(2-methoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]methyl]phenyl]acetamide
CID 111281157
N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide
CID 110775274
N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9079447

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide (CID 110783955) is N-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide is COc1ccc(CNC(=O)Cc2ccccc2Cl)cc1NC(C)=O.
What is the InChIKey of N-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide?
The InChIKey is GXGYBBDQTAMFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(22)21-16-9-13(7-8-17(16)24-2)11-20-18(23)10-14-5-3-4-6-15(14)19/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide?
N-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide has a molecular weight of 346.81 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 110783955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).