(4-benzamido-5-hydroxy-2-methylphenyl)azanium

C14H15N2O2+ — CID 142074982

IUPAC(4-benzamido-5-hydroxy-2-methylphenyl)azanium
SMILESCc1cc(NC(=O)c2ccccc2)c(O)cc1[NH3+]
InChIInChI=1S/C14H14N2O2/c1-9-7-12(13(17)8-11(9)15)16-14(18)10-5-3-2-4-6-10/h2-8,17H,15H2,1H3,(H,16,18)/p+1
InChIKeySWPHDXWBSHPBRB-UHFFFAOYSA-O
MW243.29 g/mol
LogP1.83
Rot. Bonds2

About (4-benzamido-5-hydroxy-2-methylphenyl)azanium

(4-benzamido-5-hydroxy-2-methylphenyl)azanium (PubChem CID 142074982) has the molecular formula C14H15N2O2+ and a molecular weight of 243.29 g/mol. Its IUPAC name is (4-benzamido-5-hydroxy-2-methylphenyl)azanium.

Molecular Properties

Compound Name(4-benzamido-5-hydroxy-2-methylphenyl)azanium
PubChem CID142074982
Molecular FormulaC14H15N2O2+
Molecular Weight243.29 g/mol
Exact Mass243.11
IUPAC Name(4-benzamido-5-hydroxy-2-methylphenyl)azanium
SMILESCc1cc(NC(=O)c2ccccc2)c(O)cc1[NH3+]
InChIInChI=1S/C14H14N2O2/c1-9-7-12(13(17)8-11(9)15)16-14(18)10-5-3-2-4-6-10/h2-8,17H,15H2,1H3,(H,16,18)/p+1
InChIKeySWPHDXWBSHPBRB-UHFFFAOYSA-O
XLogP1.83
TPSA76.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2,5-dihydroxyphenyl)benzamide
CID 21114775
N-(2,5-dichloro-4-methylphenyl)benzamide
CID 115761007
3-benzamido-N,4-dimethylbenzamide
CID 17226324
N-(3-benzamido-2,4,6-trimethylphenyl)benzamide
CID 5084961
N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 5120746
N-[2-(methylamino)phenyl]benzamide
CID 101444547
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
3-(3-benzamido-4-hydroxyphenyl)propanoic acid
CID 58017754
3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid
CID 75465271
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 110778003
N-(2-chlorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956204
ethane;N-(2-methyl-4-propan-2-ylphenyl)benzamide
CID 156850007

Frequently Asked Questions

What is the IUPAC name of (4-benzamido-5-hydroxy-2-methylphenyl)azanium?
The IUPAC name of (4-benzamido-5-hydroxy-2-methylphenyl)azanium (CID 142074982) is (4-benzamido-5-hydroxy-2-methylphenyl)azanium.
What is the SMILES notation for (4-benzamido-5-hydroxy-2-methylphenyl)azanium?
The canonical SMILES for (4-benzamido-5-hydroxy-2-methylphenyl)azanium is Cc1cc(NC(=O)c2ccccc2)c(O)cc1[NH3+].
What is the InChIKey of (4-benzamido-5-hydroxy-2-methylphenyl)azanium?
The InChIKey is SWPHDXWBSHPBRB-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14N2O2/c1-9-7-12(13(17)8-11(9)15)16-14(18)10-5-3-2-4-6-10/h2-8,17H,15H2,1H3,(H,16,18)/p+1.
What are the key properties of (4-benzamido-5-hydroxy-2-methylphenyl)azanium?
(4-benzamido-5-hydroxy-2-methylphenyl)azanium has a molecular weight of 243.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzamido-5-hydroxy-2-methylphenyl)azanium is sourced from PubChem (CID 142074982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).