N-(4-amino-4-oxobutyl)-4-(2,4-difluorophenoxy)benzamide

C17H16F2N2O3 — CID 56788122

IUPACN-(4-amino-4-oxobutyl)-4-(2,4-difluorophenoxy)benzamide
SMILESNC(=O)CCCNC(=O)c1ccc(Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H16F2N2O3/c18-12-5-8-15(14(19)10-12)24-13-6-3-11(4-7-13)17(23)21-9-1-2-16(20)22/h3-8,10H,1-2,9H2,(H2,20,22)(H,21,23)
InChIKeyMRCJGKMDJFGYGH-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.75
Rot. Bonds7

About N-(4-amino-4-oxobutyl)-4-(2,4-difluorophenoxy)benzamide

N-(4-amino-4-oxobutyl)-4-(2,4-difluorophenoxy)benzamide (PubChem CID 56788122) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-4-(2,4-difluorophenoxy)benzamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-4-(2,4-difluorophenoxy)benzamide
PubChem CID56788122
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC NameN-(4-amino-4-oxobutyl)-4-(2,4-difluorophenoxy)benzamide
SMILESNC(=O)CCCNC(=O)c1ccc(Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H16F2N2O3/c18-12-5-8-15(14(19)10-12)24-13-6-3-11(4-7-13)17(23)21-9-1-2-16(20)22/h3-8,10H,1-2,9H2,(H2,20,22)(H,21,23)
InChIKeyMRCJGKMDJFGYGH-UHFFFAOYSA-N
XLogP2.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide
CID 119445796
4-(2,4-difluorophenoxy)benzoyl chloride
CID 90119275
3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one
CID 21322566
N-(4-amino-4-oxobutyl)-4-fluoro-2-methylbenzamide
CID 112702489
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-(4-amino-4-oxobutyl)-4-carbamothioylbenzamide
CID 60863237
3-amino-N-(4-amino-4-oxobutyl)-4-methoxybenzamide
CID 60864435
4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide
CID 113102340
3-fluoro-4-(4-hydroxyphenoxy)benzamide
CID 60870089
N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide
CID 62237082
N-(4-amino-4-oxobutyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186049
3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol
CID 54201051

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-4-(2,4-difluorophenoxy)benzamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-4-(2,4-difluorophenoxy)benzamide (CID 56788122) is N-(4-amino-4-oxobutyl)-4-(2,4-difluorophenoxy)benzamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-4-(2,4-difluorophenoxy)benzamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-4-(2,4-difluorophenoxy)benzamide is NC(=O)CCCNC(=O)c1ccc(Oc2ccc(F)cc2F)cc1.
What is the InChIKey of N-(4-amino-4-oxobutyl)-4-(2,4-difluorophenoxy)benzamide?
The InChIKey is MRCJGKMDJFGYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c18-12-5-8-15(14(19)10-12)24-13-6-3-11(4-7-13)17(23)21-9-1-2-16(20)22/h3-8,10H,1-2,9H2,(H2,20,22)(H,21,23).
What are the key properties of N-(4-amino-4-oxobutyl)-4-(2,4-difluorophenoxy)benzamide?
N-(4-amino-4-oxobutyl)-4-(2,4-difluorophenoxy)benzamide has a molecular weight of 334.32 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-4-(2,4-difluorophenoxy)benzamide is sourced from PubChem (CID 56788122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).