5-chloro-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide

C18H19ClN2O3 — CID 888212

IUPAC5-chloro-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C18H19ClN2O3/c1-11(2)17(22)20-13-5-7-14(8-6-13)21-18(23)15-10-12(19)4-9-16(15)24-3/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyCZOWFWGDPKCSLV-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.20
Rot. Bonds5

About 5-chloro-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide

5-chloro-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 888212) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID888212
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name5-chloro-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C18H19ClN2O3/c1-11(2)17(22)20-13-5-7-14(8-6-13)21-18(23)15-10-12(19)4-9-16(15)24-3/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyCZOWFWGDPKCSLV-UHFFFAOYSA-N
XLogP4.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-chloro-N-(4-methoxyphenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide (CID 888212) is 5-chloro-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is CZOWFWGDPKCSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-11(2)17(22)20-13-5-7-14(8-6-13)21-18(23)15-10-12(19)4-9-16(15)24-3/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 5-chloro-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
5-chloro-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide has a molecular weight of 346.81 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 888212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).