2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride

C20H26Cl3N3O2 — CID 120596351

IUPAC2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride
SMILESCOc1ccc(Cl)cc1N1CCC(NC(=O)C(C)(N)c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C20H24ClN3O2.2ClH/c1-20(22,14-6-4-3-5-7-14)19(25)23-16-10-11-24(13-16)17-12-15(21)8-9-18(17)26-2;;/h3-9,12,16H,10-11,13,22H2,1-2H3,(H,23,25);2*1H
InChIKeyCRDBHUGUVPVQMB-UHFFFAOYSA-N
MW446.81 g/mol
LogP3.76
Rot. Bonds5

About 2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride

2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride (PubChem CID 120596351) has the molecular formula C20H26Cl3N3O2 and a molecular weight of 446.81 g/mol. Its IUPAC name is 2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride
PubChem CID120596351
Molecular FormulaC20H26Cl3N3O2
Molecular Weight446.81 g/mol
Exact Mass445.11
IUPAC Name2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride
SMILESCOc1ccc(Cl)cc1N1CCC(NC(=O)C(C)(N)c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C20H24ClN3O2.2ClH/c1-20(22,14-6-4-3-5-7-14)19(25)23-16-10-11-24(13-16)17-12-15(21)8-9-18(17)26-2;;/h3-9,12,16H,10-11,13,22H2,1-2H3,(H,23,25);2*1H
InChIKeyCRDBHUGUVPVQMB-UHFFFAOYSA-N
XLogP3.76
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.81
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride
CID 120597288
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4-[[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]amino]-2,2-dimethyl-4-oxobutanoic acid
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N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922757
3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide
CID 119873215
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119873197
trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 125147471
(2R,6S)-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 99819959
(2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120635297
2-amino-2-phenyl-N-(1-phenylpiperidin-4-yl)propanamide
CID 120595916
N-[2-[[N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111916943
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride
CID 120596259

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride (CID 120596351) is 2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride is COc1ccc(Cl)cc1N1CCC(NC(=O)C(C)(N)c2ccccc2)C1.Cl.Cl.
What is the InChIKey of 2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride?
The InChIKey is CRDBHUGUVPVQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2.2ClH/c1-20(22,14-6-4-3-5-7-14)19(25)23-16-10-11-24(13-16)17-12-15(21)8-9-18(17)26-2;;/h3-9,12,16H,10-11,13,22H2,1-2H3,(H,23,25);2*1H.
What are the key properties of 2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride?
2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride has a molecular weight of 446.81 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 120596351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).