4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide

C18H19ClN2O3 — CID 110795201

IUPAC4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1CCNC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12(22)21-16-6-3-13(4-7-16)18(23)20-10-9-14-11-15(19)5-8-17(14)24-2/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyIDWFNPKURMWDTP-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.28
Rot. Bonds6

About 4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide

4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide (PubChem CID 110795201) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide
PubChem CID110795201
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1CCNC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12(22)21-16-6-3-13(4-7-16)18(23)20-10-9-14-11-15(19)5-8-17(14)24-2/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyIDWFNPKURMWDTP-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 110787720
4-acetamido-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]benzamide
CID 110795325
4-acetamido-N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzamide
CID 110795800
2-(5-chloro-2-methoxyphenyl)ethylcarbamic acid
CID 115171089
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3-methoxybenzamide
CID 110790375
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
4-benzamido-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 55534844
4-acetamido-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]benzamide
CID 110796029
4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045180
4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide
CID 60696773
N-[2-(5-chloro-2-methoxyphenyl)ethyl]pentanamide
CID 110787710
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 26545356

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide (CID 110795201) is 4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide is COc1ccc(Cl)cc1CCNC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide?
The InChIKey is IDWFNPKURMWDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(22)21-16-6-3-13(4-7-16)18(23)20-10-9-14-11-15(19)5-8-17(14)24-2/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide?
4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide has a molecular weight of 346.81 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 110795201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).