3-N-(5-acetyl-2-methoxyphenyl)-4-chloro-1-N-hydroxybenzene-1,3-dicarboxamide

C17H15ClN2O5 — CID 164624154

IUPAC3-N-(5-acetyl-2-methoxyphenyl)-4-chloro-1-N-hydroxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(C)=O)cc1NC(=O)c1cc(C(=O)NO)ccc1Cl
InChIInChI=1S/C17H15ClN2O5/c1-9(21)10-4-6-15(25-2)14(8-10)19-17(23)12-7-11(16(22)20-24)3-5-13(12)18/h3-8,24H,1-2H3,(H,19,23)(H,20,22)
InChIKeyRHPDEYIVLYNXPS-UHFFFAOYSA-N
MW362.77 g/mol
LogP2.92
Rot. Bonds5

About 3-N-(5-acetyl-2-methoxyphenyl)-4-chloro-1-N-hydroxybenzene-1,3-dicarboxamide

3-N-(5-acetyl-2-methoxyphenyl)-4-chloro-1-N-hydroxybenzene-1,3-dicarboxamide (PubChem CID 164624154) has the molecular formula C17H15ClN2O5 and a molecular weight of 362.77 g/mol. Its IUPAC name is 3-N-(5-acetyl-2-methoxyphenyl)-4-chloro-1-N-hydroxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(5-acetyl-2-methoxyphenyl)-4-chloro-1-N-hydroxybenzene-1,3-dicarboxamide
PubChem CID164624154
Molecular FormulaC17H15ClN2O5
Molecular Weight362.77 g/mol
Exact Mass362.07
IUPAC Name3-N-(5-acetyl-2-methoxyphenyl)-4-chloro-1-N-hydroxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(C)=O)cc1NC(=O)c1cc(C(=O)NO)ccc1Cl
InChIInChI=1S/C17H15ClN2O5/c1-9(21)10-4-6-15(25-2)14(8-10)19-17(23)12-7-11(16(22)20-24)3-5-13(12)18/h3-8,24H,1-2H3,(H,19,23)(H,20,22)
InChIKeyRHPDEYIVLYNXPS-UHFFFAOYSA-N
XLogP2.92
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide
CID 164620621
5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide
CID 3910940
3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376
5-bromo-2-chloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 2529315
3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide
CID 107999128
2,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 965623
N-(5-acetamido-2-methoxyphenyl)-4-chloro-3-nitrobenzamide
CID 26243257
4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 53269765
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide
CID 38886565
3-acetamido-N-(3-acetylphenyl)-4-methoxybenzamide
CID 110764313
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
N-(5-acetamido-2-methoxyphenyl)-2,3-dichlorobenzamide
CID 17429613

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-acetyl-2-methoxyphenyl)-4-chloro-1-N-hydroxybenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(5-acetyl-2-methoxyphenyl)-4-chloro-1-N-hydroxybenzene-1,3-dicarboxamide (CID 164624154) is 3-N-(5-acetyl-2-methoxyphenyl)-4-chloro-1-N-hydroxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(5-acetyl-2-methoxyphenyl)-4-chloro-1-N-hydroxybenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(5-acetyl-2-methoxyphenyl)-4-chloro-1-N-hydroxybenzene-1,3-dicarboxamide is COc1ccc(C(C)=O)cc1NC(=O)c1cc(C(=O)NO)ccc1Cl.
What is the InChIKey of 3-N-(5-acetyl-2-methoxyphenyl)-4-chloro-1-N-hydroxybenzene-1,3-dicarboxamide?
The InChIKey is RHPDEYIVLYNXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5/c1-9(21)10-4-6-15(25-2)14(8-10)19-17(23)12-7-11(16(22)20-24)3-5-13(12)18/h3-8,24H,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 3-N-(5-acetyl-2-methoxyphenyl)-4-chloro-1-N-hydroxybenzene-1,3-dicarboxamide?
3-N-(5-acetyl-2-methoxyphenyl)-4-chloro-1-N-hydroxybenzene-1,3-dicarboxamide has a molecular weight of 362.77 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-acetyl-2-methoxyphenyl)-4-chloro-1-N-hydroxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 164624154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).