(2S,4S)-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide

C22H25ClN6O — CID 26363313

IUPAC(2S,4S)-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@@H]1C[C@H](n2cnnn2)CN1CCCc1ccccc1
InChIInChI=1S/C22H25ClN6O/c23-20-11-5-4-10-18(20)14-24-22(30)21-13-19(29-16-25-26-27-29)15-28(21)12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,16,19,21H,6,9,12-15H2,(H,24,30)/t19-,21-/m0/s1
InChIKeyGJGISWLUFBNBCK-FPOVZHCZSA-N
MW424.94 g/mol
LogP2.89
Rot. Bonds8

About (2S,4S)-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide

(2S,4S)-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide (PubChem CID 26363313) has the molecular formula C22H25ClN6O and a molecular weight of 424.94 g/mol. Its IUPAC name is (2S,4S)-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
PubChem CID26363313
Molecular FormulaC22H25ClN6O
Molecular Weight424.94 g/mol
Exact Mass424.18
IUPAC Name(2S,4S)-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@@H]1C[C@H](n2cnnn2)CN1CCCc1ccccc1
InChIInChI=1S/C22H25ClN6O/c23-20-11-5-4-10-18(20)14-24-22(30)21-13-19(29-16-25-26-27-29)15-28(21)12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,16,19,21H,6,9,12-15H2,(H,24,30)/t19-,21-/m0/s1
InChIKeyGJGISWLUFBNBCK-FPOVZHCZSA-N
XLogP2.89
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4R)-N-[(4-methylphenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
CID 42407429
(2S,4R)-N-[(2-chlorophenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
CID 42468776
(2S,4R)-N-[(2-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
CID 26342872
(2S,4S)-1-benzyl-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 25364191
(2S,4S)-1-[(3-phenoxyphenyl)methyl]-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 26338271
(2S,4S)-N-[2-(2-methoxyphenyl)ethyl]-1-[[4-(2-methylphenyl)phenyl]methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
CID 26333159
(2S,4S)-1-(furan-3-ylmethyl)-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
CID 25365976
(2S,4S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 126467649
(2S,4R)-1-[(4-ethoxyphenyl)methyl]-4-(tetrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 42378304
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110387587
(2R,4S)-4-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]triazol-1-yl]-1-(3-phenylpropyl)pyrrolidine-2-carboxylic acid
CID 137174966
(2S,4R)-N-benzhydryl-1-[(4-methoxynaphthalen-1-yl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
CID 45185145

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide (CID 26363313) is (2S,4S)-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide is O=C(NCc1ccccc1Cl)[C@@H]1C[C@H](n2cnnn2)CN1CCCc1ccccc1.
What is the InChIKey of (2S,4S)-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide?
The InChIKey is GJGISWLUFBNBCK-FPOVZHCZSA-N. The full InChI is InChI=1S/C22H25ClN6O/c23-20-11-5-4-10-18(20)14-24-22(30)21-13-19(29-16-25-26-27-29)15-28(21)12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,16,19,21H,6,9,12-15H2,(H,24,30)/t19-,21-/m0/s1.
What are the key properties of (2S,4S)-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide?
(2S,4S)-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide has a molecular weight of 424.94 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 26363313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).