N-(4-acetamidophenyl)-5-chloro-2-methoxybenzamide

C16H15ClN2O3 — CID 884618

IUPACN-(4-acetamidophenyl)-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H15ClN2O3/c1-10(20)18-12-4-6-13(7-5-12)19-16(21)14-9-11(17)3-8-15(14)22-2/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyCWKCWBKUKZYHTC-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.56
Rot. Bonds4

About N-(4-acetamidophenyl)-5-chloro-2-methoxybenzamide

N-(4-acetamidophenyl)-5-chloro-2-methoxybenzamide (PubChem CID 884618) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-chloro-2-methoxybenzamide
PubChem CID884618
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC NameN-(4-acetamidophenyl)-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H15ClN2O3/c1-10(20)18-12-4-6-13(7-5-12)19-16(21)14-9-11(17)3-8-15(14)22-2/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyCWKCWBKUKZYHTC-UHFFFAOYSA-N
XLogP3.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-chloro-2-methoxybenzamide?
The IUPAC name of N-(4-acetamidophenyl)-5-chloro-2-methoxybenzamide (CID 884618) is N-(4-acetamidophenyl)-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-chloro-2-methoxybenzamide?
The InChIKey is CWKCWBKUKZYHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-10(20)18-12-4-6-13(7-5-12)19-16(21)14-9-11(17)3-8-15(14)22-2/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamidophenyl)-5-chloro-2-methoxybenzamide?
N-(4-acetamidophenyl)-5-chloro-2-methoxybenzamide has a molecular weight of 318.76 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 884618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).