N-[4-(4-bromo-2-methoxy-6-methylanilino)-4-oxobutyl]-2,4-difluorobenzamide

C19H19BrF2N2O3 — CID 56569688

IUPACN-[4-(4-bromo-2-methoxy-6-methylanilino)-4-oxobutyl]-2,4-difluorobenzamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)CCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H19BrF2N2O3/c1-11-8-12(20)9-16(27-2)18(11)24-17(25)4-3-7-23-19(26)14-6-5-13(21)10-15(14)22/h5-6,8-10H,3-4,7H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyCVQIIXUYYMALLM-UHFFFAOYSA-N
MW441.27 g/mol
LogP4.19
Rot. Bonds7

About N-[4-(4-bromo-2-methoxy-6-methylanilino)-4-oxobutyl]-2,4-difluorobenzamide

N-[4-(4-bromo-2-methoxy-6-methylanilino)-4-oxobutyl]-2,4-difluorobenzamide (PubChem CID 56569688) has the molecular formula C19H19BrF2N2O3 and a molecular weight of 441.27 g/mol. Its IUPAC name is N-[4-(4-bromo-2-methoxy-6-methylanilino)-4-oxobutyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(4-bromo-2-methoxy-6-methylanilino)-4-oxobutyl]-2,4-difluorobenzamide
PubChem CID56569688
Molecular FormulaC19H19BrF2N2O3
Molecular Weight441.27 g/mol
Exact Mass440.05
IUPAC NameN-[4-(4-bromo-2-methoxy-6-methylanilino)-4-oxobutyl]-2,4-difluorobenzamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)CCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H19BrF2N2O3/c1-11-8-12(20)9-16(27-2)18(11)24-17(25)4-3-7-23-19(26)14-6-5-13(21)10-15(14)22/h5-6,8-10H,3-4,7H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyCVQIIXUYYMALLM-UHFFFAOYSA-N
XLogP4.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.27
LogP ≤ 54.19
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

2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide
CID 30492931
N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 78802707
N-[4-(3-bromoanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30448942
2,4-difluoro-N-[4-(4-methylsulfanylanilino)-4-oxobutyl]benzamide
CID 27365072
1-(4-bromo-2-methoxy-6-methylphenyl)-3-[(4-fluorophenyl)methyl]urea
CID 47069290
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide
CID 24681937
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide
CID 51312310
2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide
CID 30779997
2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide
CID 81499961
N-[4-[5-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutyl]-2,4-difluorobenzamide
CID 46467552

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromo-2-methoxy-6-methylanilino)-4-oxobutyl]-2,4-difluorobenzamide?
The IUPAC name of N-[4-(4-bromo-2-methoxy-6-methylanilino)-4-oxobutyl]-2,4-difluorobenzamide (CID 56569688) is N-[4-(4-bromo-2-methoxy-6-methylanilino)-4-oxobutyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[4-(4-bromo-2-methoxy-6-methylanilino)-4-oxobutyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[4-(4-bromo-2-methoxy-6-methylanilino)-4-oxobutyl]-2,4-difluorobenzamide is COc1cc(Br)cc(C)c1NC(=O)CCCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[4-(4-bromo-2-methoxy-6-methylanilino)-4-oxobutyl]-2,4-difluorobenzamide?
The InChIKey is CVQIIXUYYMALLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrF2N2O3/c1-11-8-12(20)9-16(27-2)18(11)24-17(25)4-3-7-23-19(26)14-6-5-13(21)10-15(14)22/h5-6,8-10H,3-4,7H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-(4-bromo-2-methoxy-6-methylanilino)-4-oxobutyl]-2,4-difluorobenzamide?
N-[4-(4-bromo-2-methoxy-6-methylanilino)-4-oxobutyl]-2,4-difluorobenzamide has a molecular weight of 441.27 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromo-2-methoxy-6-methylanilino)-4-oxobutyl]-2,4-difluorobenzamide is sourced from PubChem (CID 56569688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).