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

C18H19F2NO2 — CID 71458389

IUPAC4-butoxy-N-(2,4-difluorophenyl)-N-methylbenzamide
SMILESCCCCOc1ccc(C(=O)N(C)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H19F2NO2/c1-3-4-11-23-15-8-5-13(6-9-15)18(22)21(2)17-10-7-14(19)12-16(17)20/h5-10,12H,3-4,11H2,1-2H3
InChIKeyMPUVVVBGFUWZAP-UHFFFAOYSA-N
MW319.35 g/mol
LogP4.42
Rot. Bonds6

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

4-butoxy-N-(2,4-difluorophenyl)-N-methylbenzamide (PubChem CID 71458389) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is 4-butoxy-N-(2,4-difluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-butoxy-N-(2,4-difluorophenyl)-N-methylbenzamide
PubChem CID71458389
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name4-butoxy-N-(2,4-difluorophenyl)-N-methylbenzamide
SMILESCCCCOc1ccc(C(=O)N(C)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H19F2NO2/c1-3-4-11-23-15-8-5-13(6-9-15)18(22)21(2)17-10-7-14(19)12-16(17)20/h5-10,12H,3-4,11H2,1-2H3
InChIKeyMPUVVVBGFUWZAP-UHFFFAOYSA-N
XLogP4.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-N-methyl-4-pentoxybenzamide
CID 52701059
N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide
CID 66185454
N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357
N-butyl-N-(2,4-difluorophenyl)benzamide;titanium
CID 174382924
methyl N-(2,4-difluorophenyl)-N-methylcarbamate
CID 67276002
4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92757640
N-(1-bromopropan-2-yl)-4-butoxy-N-methylbenzamide
CID 104555948
N-[4-(2-aminoethylamino)-3-fluorophenyl]-N-methyl-4-propoxybenzamide
CID 142931334
4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 18113059
N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide
CID 110487595
N-(2-aminopropyl)-4-butoxy-N-methylbenzamide
CID 63753762
2,4-difluoro-N-(4-propoxyphenyl)benzamide
CID 17178087

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(2,4-difluorophenyl)-N-methylbenzamide?
The IUPAC name of 4-butoxy-N-(2,4-difluorophenyl)-N-methylbenzamide (CID 71458389) is 4-butoxy-N-(2,4-difluorophenyl)-N-methylbenzamide.
What is the SMILES notation for 4-butoxy-N-(2,4-difluorophenyl)-N-methylbenzamide?
The canonical SMILES for 4-butoxy-N-(2,4-difluorophenyl)-N-methylbenzamide is CCCCOc1ccc(C(=O)N(C)c2ccc(F)cc2F)cc1.
What is the InChIKey of 4-butoxy-N-(2,4-difluorophenyl)-N-methylbenzamide?
The InChIKey is MPUVVVBGFUWZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-3-4-11-23-15-8-5-13(6-9-15)18(22)21(2)17-10-7-14(19)12-16(17)20/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of 4-butoxy-N-(2,4-difluorophenyl)-N-methylbenzamide?
4-butoxy-N-(2,4-difluorophenyl)-N-methylbenzamide has a molecular weight of 319.35 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(2,4-difluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 71458389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).