benzoic acid;N-(2-hydroxyethyl)benzamide

C16H17NO4 — CID 68510330

IUPACbenzoic acid;N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccccc1.O=C(O)c1ccccc1
InChIInChI=1S/C9H11NO2.C7H6O2/c11-7-6-10-9(12)8-4-2-1-3-5-8;8-7(9)6-4-2-1-3-5-6/h1-5,11H,6-7H2,(H,10,12);1-5H,(H,8,9)
InChIKeyPNFZBDWSJDWFKJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.79
Rot. Bonds4

About benzoic acid;N-(2-hydroxyethyl)benzamide

benzoic acid;N-(2-hydroxyethyl)benzamide (PubChem CID 68510330) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is benzoic acid;N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Namebenzoic acid;N-(2-hydroxyethyl)benzamide
PubChem CID68510330
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Namebenzoic acid;N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccccc1.O=C(O)c1ccccc1
InChIInChI=1S/C9H11NO2.C7H6O2/c11-7-6-10-9(12)8-4-2-1-3-5-8;8-7(9)6-4-2-1-3-5-6/h1-5,11H,6-7H2,(H,10,12);1-5H,(H,8,9)
InChIKeyPNFZBDWSJDWFKJ-UHFFFAOYSA-N
XLogP1.79
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze benzoic acid;N-(2-hydroxyethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
N-[2-(hydroxymethylamino)ethyl]benzamide
CID 89240823
Lithium benzoate, 99%
CID 57451198
4-(benzamidomethyl)benzoic acid
CID 10879683
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
2-benzamidoethyl(chloro)mercury
CID 70399484
N-(2-aminoethyl)benzamide;ethane
CID 143976252
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
benzoic acid;2-chloroethanol
CID 86108582

Frequently Asked Questions

What is the IUPAC name of benzoic acid;N-(2-hydroxyethyl)benzamide?
The IUPAC name of benzoic acid;N-(2-hydroxyethyl)benzamide (CID 68510330) is benzoic acid;N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for benzoic acid;N-(2-hydroxyethyl)benzamide?
The canonical SMILES for benzoic acid;N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1ccccc1.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;N-(2-hydroxyethyl)benzamide?
The InChIKey is PNFZBDWSJDWFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C7H6O2/c11-7-6-10-9(12)8-4-2-1-3-5-8;8-7(9)6-4-2-1-3-5-6/h1-5,11H,6-7H2,(H,10,12);1-5H,(H,8,9).
What are the key properties of benzoic acid;N-(2-hydroxyethyl)benzamide?
benzoic acid;N-(2-hydroxyethyl)benzamide has a molecular weight of 287.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 68510330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).