N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide

C16H13FN2O2 — CID 115659773

IUPACN-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2ccc(OCC#N)cc2)c1
InChIInChI=1S/C16H13FN2O2/c1-11-8-12(10-13(17)9-11)16(20)19-14-2-4-15(5-3-14)21-7-6-18/h2-5,8-10H,7H2,1H3,(H,19,20)
InChIKeyWUUPTSVNNQDHIN-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.29
Rot. Bonds4

About N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide

N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide (PubChem CID 115659773) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide
PubChem CID115659773
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2ccc(OCC#N)cc2)c1
InChIInChI=1S/C16H13FN2O2/c1-11-8-12(10-13(17)9-11)16(20)19-14-2-4-15(5-3-14)21-7-6-18/h2-5,8-10H,7H2,1H3,(H,19,20)
InChIKeyWUUPTSVNNQDHIN-UHFFFAOYSA-N
XLogP3.29
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide
CID 107703130
3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide
CID 103907443
N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide
CID 43369113
N-(4-ethoxyphenyl)-3,5-difluorobenzamide
CID 8745463
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-methylbenzamide
CID 115769505
3-fluoro-N-(4-hydroxyphenyl)-5-methylbenzamide
CID 113246156
4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide
CID 26114223
N-(4-aminophenyl)-3-fluoro-5-methylbenzamide
CID 113265229
3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 30874096
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide
CID 103956272
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide (CID 115659773) is N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide is Cc1cc(F)cc(C(=O)Nc2ccc(OCC#N)cc2)c1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide?
The InChIKey is WUUPTSVNNQDHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-11-8-12(10-13(17)9-11)16(20)19-14-2-4-15(5-3-14)21-7-6-18/h2-5,8-10H,7H2,1H3,(H,19,20).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide?
N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide has a molecular weight of 284.29 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide is sourced from PubChem (CID 115659773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).