cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]cyclopropane-1-carboxamide

C23H22ClFN2O3 — CID 99810327

IUPACcis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]cyclopropane-1-carboxamide
SMILESCC[C@]1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3Cl)cc2)CCC(=O)NC1=O
InChIInChI=1S/C23H22ClFN2O3/c1-2-23(11-10-19(28)27-22(23)30)13-6-8-14(9-7-13)26-21(29)16-12-15(16)20-17(24)4-3-5-18(20)25/h3-9,15-16H,2,10-12H2,1H3,(H,26,29)(H,27,28,30)/t15-,16+,23+/m0/s1
InChIKeyGJHJNHXEWYFLRL-NXHTTZLHSA-N
MW428.89 g/mol
LogP4.31
Rot. Bonds5

About cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]cyclopropane-1-carboxamide (PubChem CID 99810327) has the molecular formula C23H22ClFN2O3 and a molecular weight of 428.89 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]cyclopropane-1-carboxamide
PubChem CID99810327
Molecular FormulaC23H22ClFN2O3
Molecular Weight428.89 g/mol
Exact Mass428.13
IUPAC Namecis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]cyclopropane-1-carboxamide
SMILESCC[C@]1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3Cl)cc2)CCC(=O)NC1=O
InChIInChI=1S/C23H22ClFN2O3/c1-2-23(11-10-19(28)27-22(23)30)13-6-8-14(9-7-13)26-21(29)16-12-15(16)20-17(24)4-3-5-18(20)25/h3-9,15-16H,2,10-12H2,1H3,(H,26,29)(H,27,28,30)/t15-,16+,23+/m0/s1
InChIKeyGJHJNHXEWYFLRL-NXHTTZLHSA-N
XLogP4.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.89
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide
CID 41025293
1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea
CID 4049256
cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]cyclopropane-1-carboxamide
CID 100620094
3-(3,4-dichlorophenyl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]prop-2-enamide
CID 76869654
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide
CID 40946988
2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119433671
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60570520
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide
CID 94533339
dimethyl (E)-2-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)anilino]but-2-enedioate
CID 168566996
2-(diethylamino)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-phenylacetamide
CID 56580389
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 60570598
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119568012

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]cyclopropane-1-carboxamide (CID 99810327) is cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]cyclopropane-1-carboxamide is CC[C@]1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3Cl)cc2)CCC(=O)NC1=O.
What is the InChIKey of cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is GJHJNHXEWYFLRL-NXHTTZLHSA-N. The full InChI is InChI=1S/C23H22ClFN2O3/c1-2-23(11-10-19(28)27-22(23)30)13-6-8-14(9-7-13)26-21(29)16-12-15(16)20-17(24)4-3-5-18(20)25/h3-9,15-16H,2,10-12H2,1H3,(H,26,29)(H,27,28,30)/t15-,16+,23+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 428.89 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 99810327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).