1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride

C19H20Cl3N3O2 — CID 119293629

IUPAC1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)N2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C19H19Cl2N3O2.ClH/c20-14-8-15(21)10-16(9-14)23-18(25)17-2-1-7-24(17)19(26)13-5-3-12(11-22)4-6-13;/h3-6,8-10,17H,1-2,7,11,22H2,(H,23,25);1H
InChIKeyIMSXSSFHYNWEGE-UHFFFAOYSA-N
MW428.75 g/mol
LogP4.12
Rot. Bonds4

About 1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride

1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119293629) has the molecular formula C19H20Cl3N3O2 and a molecular weight of 428.75 g/mol. Its IUPAC name is 1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119293629
Molecular FormulaC19H20Cl3N3O2
Molecular Weight428.75 g/mol
Exact Mass427.06
IUPAC Name1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)N2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C19H19Cl2N3O2.ClH/c20-14-8-15(21)10-16(9-14)23-18(25)17-2-1-7-24(17)19(26)13-5-3-12(11-22)4-6-13;/h3-6,8-10,17H,1-2,7,11,22H2,(H,23,25);1H
InChIKeyIMSXSSFHYNWEGE-UHFFFAOYSA-N
XLogP4.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.75
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorobenzoyl)-N-[4-(sulfamoylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 55615882
1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 167748566
N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide
CID 55873911
N-[4-(azepane-1-carbonyl)phenyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 55887233
(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 92664894
1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293621
N-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 55615927
1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 119731279
N-(3,5-dichlorophenyl)-1-[2-(3-fluorophenyl)acetyl]pyrrolidine-2-carboxamide
CID 55613895
1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120990196
(2R)-N-(3,4-dimethylphenyl)-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide
CID 52904723
N-(3,5-dichlorophenyl)-1-[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-2-carboxamide
CID 55613875

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119293629) is 1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.NCc1ccc(C(=O)N2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is IMSXSSFHYNWEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2.ClH/c20-14-8-15(21)10-16(9-14)23-18(25)17-2-1-7-24(17)19(26)13-5-3-12(11-22)4-6-13;/h3-6,8-10,17H,1-2,7,11,22H2,(H,23,25);1H.
What are the key properties of 1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride?
1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 428.75 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119293629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).