N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide

C19H20Cl2N2O — CID 102502878

IUPACN-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CCCN1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C19H20Cl2N2O/c20-16-9-4-8-15(18(16)21)13-23-11-5-10-17(23)19(24)22-12-14-6-2-1-3-7-14/h1-4,6-9,17H,5,10-13H2,(H,22,24)
InChIKeyBAHOQJZXJYJZCD-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.27
Rot. Bonds5

About N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide

N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 102502878) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID102502878
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC NameN-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CCCN1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C19H20Cl2N2O/c20-16-9-4-8-15(18(16)21)13-23-11-5-10-17(23)19(24)22-12-14-6-2-1-3-7-14/h1-4,6-9,17H,5,10-13H2,(H,22,24)
InChIKeyBAHOQJZXJYJZCD-UHFFFAOYSA-N
XLogP4.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
1-[(2,3-dichlorophenyl)methyl]azetidine-2-carboxylic acid
CID 154747262
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 51094960
(2S)-N-benzyl-1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67620978
(2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethylpyrrolidine-2-carboxamide
CID 131911519
1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 102563188
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
(2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 90115301
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 134797326
N-[(2,3-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 59303311
1-benzyl-N-[4-(benzylamino)-3,4-dioxo-1-phenylbutan-2-yl]pyrrolidine-2-carboxamide
CID 154706248
(2S)-2-benzyl-3-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 125136876

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide (CID 102502878) is N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccccc1)C1CCCN1Cc1cccc(Cl)c1Cl.
What is the InChIKey of N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is BAHOQJZXJYJZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c20-16-9-4-8-15(18(16)21)13-23-11-5-10-17(23)19(24)22-12-14-6-2-1-3-7-14/h1-4,6-9,17H,5,10-13H2,(H,22,24).
What are the key properties of N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide?
N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 363.29 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102502878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).