4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide

C16H16N2O3 — CID 63182176

IUPAC4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NC(CO)c2ccccc2)cc1
InChIInChI=1S/C16H16N2O3/c17-15(20)12-6-8-13(9-7-12)16(21)18-14(10-19)11-4-2-1-3-5-11/h1-9,14,19H,10H2,(H2,17,20)(H,18,21)
InChIKeyISFJNZGLLMNFQQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.25
Rot. Bonds5

About 4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide

4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide (PubChem CID 63182176) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide
PubChem CID63182176
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NC(CO)c2ccccc2)cc1
InChIInChI=1S/C16H16N2O3/c17-15(20)12-6-8-13(9-7-12)16(21)18-14(10-19)11-4-2-1-3-5-11/h1-9,14,19H,10H2,(H2,17,20)(H,18,21)
InChIKeyISFJNZGLLMNFQQ-UHFFFAOYSA-N
XLogP1.25
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
4-(hydroxymethyl)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182295
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945042
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103958252
4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide
CID 103766364
3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184761
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide (CID 63182176) is 4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)NC(CO)c2ccccc2)cc1.
What is the InChIKey of 4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide?
The InChIKey is ISFJNZGLLMNFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c17-15(20)12-6-8-13(9-7-12)16(21)18-14(10-19)11-4-2-1-3-5-11/h1-9,14,19H,10H2,(H2,17,20)(H,18,21).
What are the key properties of 4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide?
4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 63182176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).