N-(4-cyanobutyl)-4-(difluoromethoxy)benzamide

C13H14F2N2O2 — CID 63284398

IUPACN-(4-cyanobutyl)-4-(difluoromethoxy)benzamide
SMILESN#CCCCCNC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H14F2N2O2/c14-13(15)19-11-6-4-10(5-7-11)12(18)17-9-3-1-2-8-16/h4-7,13H,1-3,9H2,(H,17,18)
InChIKeyPCADJQXFFBHGOW-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.71
Rot. Bonds7

About N-(4-cyanobutyl)-4-(difluoromethoxy)benzamide

N-(4-cyanobutyl)-4-(difluoromethoxy)benzamide (PubChem CID 63284398) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is N-(4-cyanobutyl)-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(4-cyanobutyl)-4-(difluoromethoxy)benzamide
PubChem CID63284398
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC NameN-(4-cyanobutyl)-4-(difluoromethoxy)benzamide
SMILESN#CCCCCNC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H14F2N2O2/c14-13(15)19-11-6-4-10(5-7-11)12(18)17-9-3-1-2-8-16/h4-7,13H,1-3,9H2,(H,17,18)
InChIKeyPCADJQXFFBHGOW-UHFFFAOYSA-N
XLogP2.71
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide
CID 11783188
4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide
CID 14959961
N-(5-amino-5-hydroxyiminopentyl)-4-(difluoromethoxy)benzamide
CID 77036856
N-(4-cyanobutyl)-3,4-difluorobenzamide
CID 63284826
N-(3-cyanopropyl)benzamide
CID 62666234
4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide
CID 27746715
4-chloro-N-(4-cyanobutyl)-3-fluorobenzamide
CID 113343444
N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 27646459
2-[2-[[4-(difluoromethoxy)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119242649
N-(5-chloropentyl)-3-(difluoromethoxy)benzamide
CID 107321329
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620
4-(aminomethyl)-N-(3-cyanopropyl)benzamide
CID 62667032

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanobutyl)-4-(difluoromethoxy)benzamide?
The IUPAC name of N-(4-cyanobutyl)-4-(difluoromethoxy)benzamide (CID 63284398) is N-(4-cyanobutyl)-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(4-cyanobutyl)-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-(4-cyanobutyl)-4-(difluoromethoxy)benzamide is N#CCCCCNC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-(4-cyanobutyl)-4-(difluoromethoxy)benzamide?
The InChIKey is PCADJQXFFBHGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c14-13(15)19-11-6-4-10(5-7-11)12(18)17-9-3-1-2-8-16/h4-7,13H,1-3,9H2,(H,17,18).
What are the key properties of N-(4-cyanobutyl)-4-(difluoromethoxy)benzamide?
N-(4-cyanobutyl)-4-(difluoromethoxy)benzamide has a molecular weight of 268.26 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanobutyl)-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 63284398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).