N-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide

C18H18BrFN2O2 — CID 113062914

IUPACN-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1F)c1ccc(Br)c(C)c1
InChIInChI=1S/C18H18BrFN2O2/c1-12-11-14(7-8-16(12)19)22(13(2)23)10-9-21-18(24)15-5-3-4-6-17(15)20/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyTVLNFENFAMQTMS-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.68
Rot. Bonds5

About N-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide

N-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide (PubChem CID 113062914) has the molecular formula C18H18BrFN2O2 and a molecular weight of 393.26 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide
PubChem CID113062914
Molecular FormulaC18H18BrFN2O2
Molecular Weight393.26 g/mol
Exact Mass392.05
IUPAC NameN-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1F)c1ccc(Br)c(C)c1
InChIInChI=1S/C18H18BrFN2O2/c1-12-11-14(7-8-16(12)19)22(13(2)23)10-9-21-18(24)15-5-3-4-6-17(15)20/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyTVLNFENFAMQTMS-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide
CID 113063996
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide
CID 113058782
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide
CID 113061304
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113057297
methyl 3-[acetyl-[2-[(2-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061958
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113059896
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-methylbenzamide
CID 113062948
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide
CID 113063038
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide
CID 113064615
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide
CID 113059321
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide
CID 113057862
methyl 3-[acetyl-[2-[(2-methylbenzoyl)amino]ethyl]amino]benzoate
CID 113061955

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide (CID 113062914) is N-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide is CC(=O)N(CCNC(=O)c1ccccc1F)c1ccc(Br)c(C)c1.
What is the InChIKey of N-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide?
The InChIKey is TVLNFENFAMQTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O2/c1-12-11-14(7-8-16(12)19)22(13(2)23)10-9-21-18(24)15-5-3-4-6-17(15)20/h3-8,11H,9-10H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide?
N-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide has a molecular weight of 393.26 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 113062914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).