N-[(4-chlorophenyl)methyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide

C17H19ClN4O2 — CID 123556017

IUPACN-[(4-chlorophenyl)methyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCCN1C(=O)Cc1cnc[nH]1
InChIInChI=1S/C17H19ClN4O2/c18-13-5-3-12(4-6-13)9-20-17(24)15-2-1-7-22(15)16(23)8-14-10-19-11-21-14/h3-6,10-11,15H,1-2,7-9H2,(H,19,21)(H,20,24)
InChIKeyWZHNEDOBTQRATQ-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.91
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide

N-[(4-chlorophenyl)methyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 123556017) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID123556017
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCCN1C(=O)Cc1cnc[nH]1
InChIInChI=1S/C17H19ClN4O2/c18-13-5-3-12(4-6-13)9-20-17(24)15-2-1-7-22(15)16(23)8-14-10-19-11-21-14/h3-6,10-11,15H,1-2,7-9H2,(H,19,21)(H,20,24)
InChIKeyWZHNEDOBTQRATQ-UHFFFAOYSA-N
XLogP1.91
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-[2-(1-methylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 123141099
(2S)-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 146357876
N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684075
(2R)-1-[2-(4-chlorophenyl)acetyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 20973336
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 155944780
(2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 165139302
N-[(4-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170385944
2-[[4-[(4-chlorophenyl)methylamino]-4-oxobutyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 67811566
(2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 1468798
2-N-[(4-fluorophenyl)methyl]-1-N,1-N-dimethylpyrrolidine-1,2-dicarboxamide
CID 159386470
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136521380

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide (CID 123556017) is N-[(4-chlorophenyl)methyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCCN1C(=O)Cc1cnc[nH]1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is WZHNEDOBTQRATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-13-5-3-12(4-6-13)9-20-17(24)15-2-1-7-22(15)16(23)8-14-10-19-11-21-14/h3-6,10-11,15H,1-2,7-9H2,(H,19,21)(H,20,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123556017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).