VU0357121

C17H17F2NO2 — CID 2296132

IUPAC4-butoxy-N-(2,4-difluorophenyl)benzamide
SMILESCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F
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
LogP4.20
Rot. Bonds6

About VU0357121

VU0357121 (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 NameVU0357121
PubChem CID2296132
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name4-butoxy-N-(2,4-difluorophenyl)benzamide
SMILESCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F
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
XLogP4.20
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity346

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 VU0357121?
The IUPAC name of VU0357121 (CID 2296132) is 4-butoxy-N-(2,4-difluorophenyl)benzamide.
What is the SMILES notation for VU0357121?
The canonical SMILES for VU0357121 is CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F.
What is the InChIKey of VU0357121?
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 VU0357121?
VU0357121 has a molecular weight of 305.32 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for VU0357121 is sourced from PubChem (CID 2296132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).