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

C18H24BrFN2O2 — CID 39967733

IUPACN-(4-bromo-2-fluorophenyl)-1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCC(C)(C)NC(=O)CC1(C(=O)Nc2ccc(Br)cc2F)CCCC1
InChIInChI=1S/C18H24BrFN2O2/c1-17(2,3)22-15(23)11-18(8-4-5-9-18)16(24)21-14-7-6-12(19)10-13(14)20/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyVCTJTLVNWCHBJN-UHFFFAOYSA-N
MW399.30 g/mol
LogP4.39
Rot. Bonds4

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

N-(4-bromo-2-fluorophenyl)-1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide (PubChem CID 39967733) has the molecular formula C18H24BrFN2O2 and a molecular weight of 399.30 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide
PubChem CID39967733
Molecular FormulaC18H24BrFN2O2
Molecular Weight399.30 g/mol
Exact Mass398.10
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCC(C)(C)NC(=O)CC1(C(=O)Nc2ccc(Br)cc2F)CCCC1
InChIInChI=1S/C18H24BrFN2O2/c1-17(2,3)22-15(23)11-18(8-4-5-9-18)16(24)21-14-7-6-12(19)10-13(14)20/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyVCTJTLVNWCHBJN-UHFFFAOYSA-N
XLogP4.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-4-phenylbutanamide
CID 885971
N-(3-bromophenyl)-2-cyclopentylacetamide
CID 2403164
N-(4-bromophenyl)cyclopentanecarboxamide
CID 531887
(1R,2R,3R,4S)-2-N-(5-aminopentyl)-3-N-(4-bromophenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495547
(1R,2R,3R,4S)-2-N-(3-amino-2,2-dimethylpropyl)-3-N-(4-bromophenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495735
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-(2-methylpropyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495917
(1R,2R,3R,4S)-2-N-(4-aminobutyl)-3-N-(4-bromophenyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67496467
N-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
CID 2219854
N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide
CID 2679466
N-(4-bromophenyl)-2-cyclopentylacetamide
CID 2598780
N-(4-bromo-2-fluorophenyl)-2-ethylbutanamide
CID 841789
N'-[[(1R,2R,3R,4S)-3-[(4-bromophenyl)carbamoyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]butanediamide
CID 67495025

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide (CID 39967733) is N-(4-bromo-2-fluorophenyl)-1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide is CC(C)(C)NC(=O)CC1(C(=O)Nc2ccc(Br)cc2F)CCCC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The InChIKey is VCTJTLVNWCHBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrFN2O2/c1-17(2,3)22-15(23)11-18(8-4-5-9-18)16(24)21-14-7-6-12(19)10-13(14)20/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
N-(4-bromo-2-fluorophenyl)-1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide has a molecular weight of 399.30 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 39967733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).