[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone

C20H20Cl2N2O — CID 120746803

IUPAC[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone
SMILESN[C@@H]1CN(C(=O)C2CC2c2cccc(Cl)c2Cl)C[C@H]1c1ccccc1
InChIInChI=1S/C20H20Cl2N2O/c21-17-8-4-7-13(19(17)22)14-9-15(14)20(25)24-10-16(18(23)11-24)12-5-2-1-3-6-12/h1-8,14-16,18H,9-11,23H2/t14?,15?,16-,18+/m0/s1
InChIKeyCHYMJBNKNFUSBU-UNGSAITNSA-N
MW375.30 g/mol
LogP4.05
Rot. Bonds3

About [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone

[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone (PubChem CID 120746803) has the molecular formula C20H20Cl2N2O and a molecular weight of 375.30 g/mol. Its IUPAC name is [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone
PubChem CID120746803
Molecular FormulaC20H20Cl2N2O
Molecular Weight375.30 g/mol
Exact Mass374.10
IUPAC Name[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone
SMILESN[C@@H]1CN(C(=O)C2CC2c2cccc(Cl)c2Cl)C[C@H]1c1ccccc1
InChIInChI=1S/C20H20Cl2N2O/c21-17-8-4-7-13(19(17)22)14-9-15(14)20(25)24-10-16(18(23)11-24)12-5-2-1-3-6-12/h1-8,14-16,18H,9-11,23H2/t14?,15?,16-,18+/m0/s1
InChIKeyCHYMJBNKNFUSBU-UNGSAITNSA-N
XLogP4.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone with MolForge

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Related Compounds

[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone;hydrochloride
CID 120746802
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 120747860
1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 95620484
2-[(2R)-4-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 124704951
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride
CID 120748173
[2-(2,3-dichlorophenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576628
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2,3-dichlorophenyl)cyclopropyl]methanone;hydrochloride
CID 120814867
[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 72875520
[(1R,2R)-2-(2,3-dichlorophenyl)cyclopropyl]-(1,4-thiazepan-4-yl)methanone
CID 97315628
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanone
CID 124691738
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(thian-4-yl)methanone
CID 120750026
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-5-(3-chlorophenyl)-1-methylpyrrolidin-2-one
CID 120749504

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone?
The IUPAC name of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone (CID 120746803) is [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone?
The canonical SMILES for [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone is N[C@@H]1CN(C(=O)C2CC2c2cccc(Cl)c2Cl)C[C@H]1c1ccccc1.
What is the InChIKey of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone?
The InChIKey is CHYMJBNKNFUSBU-UNGSAITNSA-N. The full InChI is InChI=1S/C20H20Cl2N2O/c21-17-8-4-7-13(19(17)22)14-9-15(14)20(25)24-10-16(18(23)11-24)12-5-2-1-3-6-12/h1-8,14-16,18H,9-11,23H2/t14?,15?,16-,18+/m0/s1.
What are the key properties of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone?
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone has a molecular weight of 375.30 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 120746803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).