4-(4-bromophenyl)-N-cyclohexyl-2,2-difluoro-4-(2-oxopyrrolidin-1-yl)butanamide

C20H25BrF2N2O2 — CID 132547910

IUPAC4-(4-bromophenyl)-N-cyclohexyl-2,2-difluoro-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESO=C1CCCN1C(CC(F)(F)C(=O)NC1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C20H25BrF2N2O2/c21-15-10-8-14(9-11-15)17(25-12-4-7-18(25)26)13-20(22,23)19(27)24-16-5-2-1-3-6-16/h8-11,16-17H,1-7,12-13H2,(H,24,27)
InChIKeyUVQIHZNLRBGTJN-UHFFFAOYSA-N
MW443.33 g/mol
LogP4.59
Rot. Bonds6

About 4-(4-bromophenyl)-N-cyclohexyl-2,2-difluoro-4-(2-oxopyrrolidin-1-yl)butanamide

4-(4-bromophenyl)-N-cyclohexyl-2,2-difluoro-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 132547910) has the molecular formula C20H25BrF2N2O2 and a molecular weight of 443.33 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-cyclohexyl-2,2-difluoro-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-cyclohexyl-2,2-difluoro-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID132547910
Molecular FormulaC20H25BrF2N2O2
Molecular Weight443.33 g/mol
Exact Mass442.11
IUPAC Name4-(4-bromophenyl)-N-cyclohexyl-2,2-difluoro-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESO=C1CCCN1C(CC(F)(F)C(=O)NC1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C20H25BrF2N2O2/c21-15-10-8-14(9-11-15)17(25-12-4-7-18(25)26)13-20(22,23)19(27)24-16-5-2-1-3-6-16/h8-11,16-17H,1-7,12-13H2,(H,24,27)
InChIKeyUVQIHZNLRBGTJN-UHFFFAOYSA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino}-N-(cyanomethyl)-4-methylpentanamide
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N-Benzyl-2-(4-bromo-phenyl)-acetamide
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2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide
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3-[(4-Bromophenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
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(3R,3aS,7R,7aS)-2-benzyl-3-(4-bromo-2-fluorophenyl)-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-cyclohexyl-2,2-difluoro-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of 4-(4-bromophenyl)-N-cyclohexyl-2,2-difluoro-4-(2-oxopyrrolidin-1-yl)butanamide (CID 132547910) is 4-(4-bromophenyl)-N-cyclohexyl-2,2-difluoro-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-cyclohexyl-2,2-difluoro-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for 4-(4-bromophenyl)-N-cyclohexyl-2,2-difluoro-4-(2-oxopyrrolidin-1-yl)butanamide is O=C1CCCN1C(CC(F)(F)C(=O)NC1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-cyclohexyl-2,2-difluoro-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is UVQIHZNLRBGTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrF2N2O2/c21-15-10-8-14(9-11-15)17(25-12-4-7-18(25)26)13-20(22,23)19(27)24-16-5-2-1-3-6-16/h8-11,16-17H,1-7,12-13H2,(H,24,27).
What are the key properties of 4-(4-bromophenyl)-N-cyclohexyl-2,2-difluoro-4-(2-oxopyrrolidin-1-yl)butanamide?
4-(4-bromophenyl)-N-cyclohexyl-2,2-difluoro-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 443.33 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-cyclohexyl-2,2-difluoro-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 132547910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).