2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide

C18H17F3N2O2 — CID 30492931

IUPAC2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide
SMILESCc1cc(F)ccc1NC(=O)CCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H17F3N2O2/c1-11-9-12(19)5-7-16(11)23-17(24)3-2-8-22-18(25)14-6-4-13(20)10-15(14)21/h4-7,9-10H,2-3,8H2,1H3,(H,22,25)(H,23,24)
InChIKeySCOUYTMBKLRYSG-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.56
Rot. Bonds6

About 2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide

2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide (PubChem CID 30492931) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide
PubChem CID30492931
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide
SMILESCc1cc(F)ccc1NC(=O)CCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H17F3N2O2/c1-11-9-12(19)5-7-16(11)23-17(24)3-2-8-22-18(25)14-6-4-13(20)10-15(14)21/h4-7,9-10H,2-3,8H2,1H3,(H,22,25)(H,23,24)
InChIKeySCOUYTMBKLRYSG-UHFFFAOYSA-N
XLogP3.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 78802707
N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide
CID 24681937
N-[4-[5-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutyl]-2,4-difluorobenzamide
CID 46467552
2,4-difluoro-N-[4-(4-methylsulfanylanilino)-4-oxobutyl]benzamide
CID 27365072
2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide
CID 38692816
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
N-[4-(4-bromo-2-methoxy-6-methylanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 56569688
2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide
CID 30779997
2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide
CID 51312310
N-[4-(3-bromoanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30448942
5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 17283084

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide (CID 30492931) is 2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide is Cc1cc(F)ccc1NC(=O)CCCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide?
The InChIKey is SCOUYTMBKLRYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-11-9-12(19)5-7-16(11)23-17(24)3-2-8-22-18(25)14-6-4-13(20)10-15(14)21/h4-7,9-10H,2-3,8H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide?
2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide has a molecular weight of 350.34 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide is sourced from PubChem (CID 30492931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).