(1R)-2-(2-bromoacetyl)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluorocyclopent-2-ene-1-carboxamide

C20H15BrClF2NO2 — CID 140887069

IUPAC(1R)-2-(2-bromoacetyl)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluorocyclopent-2-ene-1-carboxamide
SMILESO=C(CBr)C1=CC(F)C[C@H]1C(=O)Nc1cccc(-c2ccccc2Cl)c1F
InChIInChI=1S/C20H15BrClF2NO2/c21-10-18(26)14-8-11(23)9-15(14)20(27)25-17-7-3-5-13(19(17)24)12-4-1-2-6-16(12)22/h1-8,11,15H,9-10H2,(H,25,27)/t11?,15-/m1/s1
InChIKeyRJBPFFAELSIPHR-JOPIAHFSSA-N
MW454.70 g/mol
LogP5.33
Rot. Bonds5

About (1R)-2-(2-bromoacetyl)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluorocyclopent-2-ene-1-carboxamide

(1R)-2-(2-bromoacetyl)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluorocyclopent-2-ene-1-carboxamide (PubChem CID 140887069) has the molecular formula C20H15BrClF2NO2 and a molecular weight of 454.70 g/mol. Its IUPAC name is (1R)-2-(2-bromoacetyl)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluorocyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-2-(2-bromoacetyl)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluorocyclopent-2-ene-1-carboxamide
PubChem CID140887069
Molecular FormulaC20H15BrClF2NO2
Molecular Weight454.70 g/mol
Exact Mass452.99
IUPAC Name(1R)-2-(2-bromoacetyl)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluorocyclopent-2-ene-1-carboxamide
SMILESO=C(CBr)C1=CC(F)C[C@H]1C(=O)Nc1cccc(-c2ccccc2Cl)c1F
InChIInChI=1S/C20H15BrClF2NO2/c21-10-18(26)14-8-11(23)9-15(14)20(27)25-17-7-3-5-13(19(17)24)12-4-1-2-6-16(12)22/h1-8,11,15H,9-10H2,(H,25,27)/t11?,15-/m1/s1
InChIKeyRJBPFFAELSIPHR-JOPIAHFSSA-N
XLogP5.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.70
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide
CID 123475195
tert-butyl 2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]azetidine-1-carboxylate
CID 154627619
N-[3-(2-chlorophenyl)-2-fluorophenyl]-5-[(dimethylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 153298449
N-[3-(2-chlorophenyl)-2-fluorophenyl]-2-(propan-2-ylamino)acetamide
CID 130299682
N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoro-1-[2-(3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide
CID 140887052
(2S,4R)-1-[2-(4-chloro-3-cyanophenyl)acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide
CID 126622589
tert-butyl (1S,2S,5R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 126628845
tert-butyl (2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamothioyl]-4-fluoropyrrolidine-1-carboxylate
CID 126647433
N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide
CID 28969320
[(2S,3R)-1-[3-(2-chlorophenyl)-2-fluoroanilino]-3-hydroxy-1-oxobutan-2-yl] carbamate
CID 126622686
(2S,4R)-2-tert-butyl-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid
CID 118341744
(2S,4R)-1-[2-(6-acetylthieno[2,3-b]pyrrol-4-yl)acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide
CID 118323385

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2-bromoacetyl)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluorocyclopent-2-ene-1-carboxamide?
The IUPAC name of (1R)-2-(2-bromoacetyl)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluorocyclopent-2-ene-1-carboxamide (CID 140887069) is (1R)-2-(2-bromoacetyl)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluorocyclopent-2-ene-1-carboxamide.
What is the SMILES notation for (1R)-2-(2-bromoacetyl)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluorocyclopent-2-ene-1-carboxamide?
The canonical SMILES for (1R)-2-(2-bromoacetyl)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluorocyclopent-2-ene-1-carboxamide is O=C(CBr)C1=CC(F)C[C@H]1C(=O)Nc1cccc(-c2ccccc2Cl)c1F.
What is the InChIKey of (1R)-2-(2-bromoacetyl)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluorocyclopent-2-ene-1-carboxamide?
The InChIKey is RJBPFFAELSIPHR-JOPIAHFSSA-N. The full InChI is InChI=1S/C20H15BrClF2NO2/c21-10-18(26)14-8-11(23)9-15(14)20(27)25-17-7-3-5-13(19(17)24)12-4-1-2-6-16(12)22/h1-8,11,15H,9-10H2,(H,25,27)/t11?,15-/m1/s1.
What are the key properties of (1R)-2-(2-bromoacetyl)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluorocyclopent-2-ene-1-carboxamide?
(1R)-2-(2-bromoacetyl)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluorocyclopent-2-ene-1-carboxamide has a molecular weight of 454.70 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2-bromoacetyl)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluorocyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 140887069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).