N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

C21H22BrFN2O2 — CID 112761225

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C21H22BrFN2O2/c1-14-12-16(22)6-9-18(14)25-19(26)13-24-20(27)21(10-2-3-11-21)15-4-7-17(23)8-5-15/h4-9,12H,2-3,10-11,13H2,1H3,(H,24,27)(H,25,26)
InChIKeyZPKDSJHVHINRIB-UHFFFAOYSA-N
MW433.32 g/mol
LogP4.46
Rot. Bonds5

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 112761225) has the molecular formula C21H22BrFN2O2 and a molecular weight of 433.32 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID112761225
Molecular FormulaC21H22BrFN2O2
Molecular Weight433.32 g/mol
Exact Mass432.08
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C21H22BrFN2O2/c1-14-12-16(22)6-9-18(14)25-19(26)13-24-20(27)21(10-2-3-11-21)15-4-7-17(23)8-5-15/h4-9,12H,2-3,10-11,13H2,1H3,(H,24,27)(H,25,26)
InChIKeyZPKDSJHVHINRIB-UHFFFAOYSA-N
XLogP4.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.32
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 32983634
1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214403
N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 112790088
1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 86920161
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 27162055
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide
CID 112846002
N-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 134017760
N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide
CID 108956659
N-(4-bromo-2-methylphenyl)-2-[(1-phenylcyclobutyl)methylcarbamoylamino]acetamide
CID 52550986
N-(2-amino-2-oxoethyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110473843
1-(4-fluorophenyl)-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 112537817

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (CID 112761225) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)C1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is ZPKDSJHVHINRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrFN2O2/c1-14-12-16(22)6-9-18(14)25-19(26)13-24-20(27)21(10-2-3-11-21)15-4-7-17(23)8-5-15/h4-9,12H,2-3,10-11,13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 433.32 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 112761225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).