2-cyano-N-[4-(4-hydroxybenzoyl)phenyl]acetamide

C16H12N2O3 — CID 168522198

IUPAC2-cyano-N-[4-(4-hydroxybenzoyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(C(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H12N2O3/c17-10-9-15(20)18-13-5-1-11(2-6-13)16(21)12-3-7-14(19)8-4-12/h1-8,19H,9H2,(H,18,20)
InChIKeyZNQBLVXMBSZZBN-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.48
Rot. Bonds4

About 2-cyano-N-[4-(4-hydroxybenzoyl)phenyl]acetamide

2-cyano-N-[4-(4-hydroxybenzoyl)phenyl]acetamide (PubChem CID 168522198) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-cyano-N-[4-(4-hydroxybenzoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(4-hydroxybenzoyl)phenyl]acetamide
PubChem CID168522198
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-cyano-N-[4-(4-hydroxybenzoyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(C(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H12N2O3/c17-10-9-15(20)18-13-5-1-11(2-6-13)16(21)12-3-7-14(19)8-4-12/h1-8,19H,9H2,(H,18,20)
InChIKeyZNQBLVXMBSZZBN-UHFFFAOYSA-N
XLogP2.48
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 168524250
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
N-[4-(4-hydroxybenzoyl)phenyl]acetamide
CID 91710939
N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide
CID 108922462
4-tert-butyl-N-[4-[(2-cyanoacetyl)amino]phenyl]benzamide
CID 108922528
2-hydroxyethyl 4-[(2-cyanoacetyl)amino]benzoate
CID 32697295
2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide
CID 110470122
N-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-cyanoacetamide
CID 168520060

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(4-hydroxybenzoyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-(4-hydroxybenzoyl)phenyl]acetamide (CID 168522198) is 2-cyano-N-[4-(4-hydroxybenzoyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(4-hydroxybenzoyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(4-hydroxybenzoyl)phenyl]acetamide is N#CCC(=O)Nc1ccc(C(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of 2-cyano-N-[4-(4-hydroxybenzoyl)phenyl]acetamide?
The InChIKey is ZNQBLVXMBSZZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c17-10-9-15(20)18-13-5-1-11(2-6-13)16(21)12-3-7-14(19)8-4-12/h1-8,19H,9H2,(H,18,20).
What are the key properties of 2-cyano-N-[4-(4-hydroxybenzoyl)phenyl]acetamide?
2-cyano-N-[4-(4-hydroxybenzoyl)phenyl]acetamide has a molecular weight of 280.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(4-hydroxybenzoyl)phenyl]acetamide is sourced from PubChem (CID 168522198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).