N-(5-chloro-2-hydroxyphenyl)-4-(cyanomethyl)benzamide

C15H11ClN2O2 — CID 82179465

IUPACN-(5-chloro-2-hydroxyphenyl)-4-(cyanomethyl)benzamide
SMILESN#CCc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H11ClN2O2/c16-12-5-6-14(19)13(9-12)18-15(20)11-3-1-10(2-4-11)7-8-17/h1-6,9,19H,7H2,(H,18,20)
InChIKeyUTTFBVVALIZSNY-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.36
Rot. Bonds3

About N-(5-chloro-2-hydroxyphenyl)-4-(cyanomethyl)benzamide

N-(5-chloro-2-hydroxyphenyl)-4-(cyanomethyl)benzamide (PubChem CID 82179465) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-4-(cyanomethyl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-4-(cyanomethyl)benzamide
PubChem CID82179465
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-4-(cyanomethyl)benzamide
SMILESN#CCc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H11ClN2O2/c16-12-5-6-14(19)13(9-12)18-15(20)11-3-1-10(2-4-11)7-8-17/h1-6,9,19H,7H2,(H,18,20)
InChIKeyUTTFBVVALIZSNY-UHFFFAOYSA-N
XLogP3.36
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide
CID 58895575
N-[4-(cyanomethyl)phenyl]-3,4-dihydroxybenzamide
CID 103955439
N-(5-chloro-2-hydroxyphenyl)-2-(4-chlorophenyl)acetamide
CID 1262869
N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide
CID 17099861
3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 674696
4-(cyanomethyl)-N-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]benzamide
CID 57264454
N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide
CID 835945
N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 71508594
N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide
CID 60628744
N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
4-(cyanomethyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 82179481

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-4-(cyanomethyl)benzamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-4-(cyanomethyl)benzamide (CID 82179465) is N-(5-chloro-2-hydroxyphenyl)-4-(cyanomethyl)benzamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-4-(cyanomethyl)benzamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-4-(cyanomethyl)benzamide is N#CCc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-4-(cyanomethyl)benzamide?
The InChIKey is UTTFBVVALIZSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-12-5-6-14(19)13(9-12)18-15(20)11-3-1-10(2-4-11)7-8-17/h1-6,9,19H,7H2,(H,18,20).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-4-(cyanomethyl)benzamide?
N-(5-chloro-2-hydroxyphenyl)-4-(cyanomethyl)benzamide has a molecular weight of 286.72 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-4-(cyanomethyl)benzamide is sourced from PubChem (CID 82179465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).