4-butoxy-N-(2,4-difluorophenyl)benzamide

C17H17F2NO2 — CID 2296132

IUPAC4-butoxy-N-(2,4-difluorophenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H17F2NO2/c1-2-3-10-22-14-7-4-12(5-8-14)17(21)20-16-9-6-13(18)11-15(16)19/h4-9,11H,2-3,10H2,1H3,(H,20,21)
InChIKeyAHCYOTLTLQTPSU-UHFFFAOYSA-N
MW305.32 g/mol
LogP4.40
Rot. Bonds6

About 4-butoxy-N-(2,4-difluorophenyl)benzamide

4-butoxy-N-(2,4-difluorophenyl)benzamide (PubChem CID 2296132) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 4-butoxy-N-(2,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(2,4-difluorophenyl)benzamide
PubChem CID2296132
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name4-butoxy-N-(2,4-difluorophenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H17F2NO2/c1-2-3-10-22-14-7-4-12(5-8-14)17(21)20-16-9-6-13(18)11-15(16)19/h4-9,11H,2-3,10H2,1H3,(H,20,21)
InChIKeyAHCYOTLTLQTPSU-UHFFFAOYSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Flutolanil
CID 47898
Encainide
CID 48041
Mepronil
CID 41632
Encainide Hydrochloride
CID 48040
3-Amino-4-methoxybenzanilide
CID 8426
4-Methoxy-N-(4-methoxyphenyl)benzamide
CID 346815
N-(4-methoxyphenyl)-4-methylbenzamide
CID 531829
Benzamide, N-(3-methoxyphenyl)-2-(trifluoromethyl)-
CID 846634
4-Methoxy-N-(1-naphthyl)benzamide
CID 303390
4-Methoxy-N-phenylbenzohydroxamic acid
CID 777378
N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide
CID 60196738
N-(2-Aminophenyl)-4-methoxybenzamide
CID 785232

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(2,4-difluorophenyl)benzamide?
The IUPAC name of 4-butoxy-N-(2,4-difluorophenyl)benzamide (CID 2296132) is 4-butoxy-N-(2,4-difluorophenyl)benzamide.
What is the SMILES notation for 4-butoxy-N-(2,4-difluorophenyl)benzamide?
The canonical SMILES for 4-butoxy-N-(2,4-difluorophenyl)benzamide is CCCCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 4-butoxy-N-(2,4-difluorophenyl)benzamide?
The InChIKey is AHCYOTLTLQTPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-2-3-10-22-14-7-4-12(5-8-14)17(21)20-16-9-6-13(18)11-15(16)19/h4-9,11H,2-3,10H2,1H3,(H,20,21).
What are the key properties of 4-butoxy-N-(2,4-difluorophenyl)benzamide?
4-butoxy-N-(2,4-difluorophenyl)benzamide has a molecular weight of 305.32 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(2,4-difluorophenyl)benzamide is sourced from PubChem (CID 2296132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).