N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide

C18H20N2O4 — CID 139926551

IUPACN-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)c1cccc(O)c1O
InChIInChI=1S/C18H20N2O4/c1-2-3-11-19-17(23)12-7-4-5-9-14(12)20-18(24)13-8-6-10-15(21)16(13)22/h4-10,21-22H,2-3,11H2,1H3,(H,19,23)(H,20,24)
InChIKeyDITFZGQPIKYULR-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.88
Rot. Bonds6

About N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide

N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide (PubChem CID 139926551) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide
PubChem CID139926551
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)c1cccc(O)c1O
InChIInChI=1S/C18H20N2O4/c1-2-3-11-19-17(23)12-7-4-5-9-14(12)20-18(24)13-8-6-10-15(21)16(13)22/h4-10,21-22H,2-3,11H2,1H3,(H,19,23)(H,20,24)
InChIKeyDITFZGQPIKYULR-UHFFFAOYSA-N
XLogP2.88
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 17256470
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
N-butyl-2-(phenylcarbamoylamino)benzamide
CID 19629104
methyl 3-[2-(butylcarbamoyl)anilino]-3-oxopropanoate
CID 28638069
4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid
CID 17149330
N-butyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 46585555
2-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945880
N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17149351
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17149439
N-(3-acetamidopropyl)-2,3-dihydroxybenzamide
CID 144546819
N-butyl-2-hydroxy-3-phenylbenzamide
CID 8579

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide?
The IUPAC name of N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide (CID 139926551) is N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide.
What is the SMILES notation for N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide?
The canonical SMILES for N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide is CCCCNC(=O)c1ccccc1NC(=O)c1cccc(O)c1O.
What is the InChIKey of N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide?
The InChIKey is DITFZGQPIKYULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-3-11-19-17(23)12-7-4-5-9-14(12)20-18(24)13-8-6-10-15(21)16(13)22/h4-10,21-22H,2-3,11H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide?
N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide has a molecular weight of 328.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide is sourced from PubChem (CID 139926551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).