1-N-(3-chlorophenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide

C20H20ClN7O2 — CID 3219837

IUPAC1-N-(3-chlorophenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1cc(NC(=O)C2CCCN2C(=O)Nc2cccc(Cl)c2)ccc1-n1cnnn1
InChIInChI=1S/C20H20ClN7O2/c1-13-10-16(7-8-17(13)28-12-22-25-26-28)23-19(29)18-6-3-9-27(18)20(30)24-15-5-2-4-14(21)11-15/h2,4-5,7-8,10-12,18H,3,6,9H2,1H3,(H,23,29)(H,24,30)
InChIKeyVXSYWWKSCZIIIO-UHFFFAOYSA-N
MW425.88 g/mol
LogP3.26
Rot. Bonds4

About 1-N-(3-chlorophenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide

1-N-(3-chlorophenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 3219837) has the molecular formula C20H20ClN7O2 and a molecular weight of 425.88 g/mol. Its IUPAC name is 1-N-(3-chlorophenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chlorophenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID3219837
Molecular FormulaC20H20ClN7O2
Molecular Weight425.88 g/mol
Exact Mass425.14
IUPAC Name1-N-(3-chlorophenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1cc(NC(=O)C2CCCN2C(=O)Nc2cccc(Cl)c2)ccc1-n1cnnn1
InChIInChI=1S/C20H20ClN7O2/c1-13-10-16(7-8-17(13)28-12-22-25-26-28)23-19(29)18-6-3-9-27(18)20(30)24-15-5-2-4-14(21)11-15/h2,4-5,7-8,10-12,18H,3,6,9H2,1H3,(H,23,29)(H,24,30)
InChIKeyVXSYWWKSCZIIIO-UHFFFAOYSA-N
XLogP3.26
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidin-2-yl]-N-(5-chloro-2-tetrazol-1-yl-benzyl)-acetamide
CID 44333061
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide
CID 3216697
(2S)-2-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 59402125
Pyrrolidine-1,2-dicarboxylic acid 2-[(3-methyl-4-tetrazol-1-yl-phenyl)-amide] 1-p-tolylamide
CID 3219768
1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 3230219
2-[(S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidin-2-yl]-N-(5-chloro-2-[1,2,4]triazol-1-yl-benzyl)-acetamide
CID 44332934
2-[(S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidin-2-yl]-N-(2-tetrazol-1-yl-benzyl)-acetamide
CID 44333068
(2S,4S)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-4-[(3S)-3-methyl-4-sulfamoylpiperazin-1-yl]-N-phenylpyrrolidine-2-carboxamide
CID 90033784
Pyrrolidine-1,2-dicarboxylic acid 1-[(3,5-dimethyl-phenyl)-amide] 2-[(3-methyl-4-tetrazol-1-yl-phenyl)-amide]
CID 3230213
Pyrrolidine-1,2-dicarboxylic acid 1-[(3,5-dimethyl-phenyl)-amide] 2-[(4-tetrazol-1-yl-phenyl)-amide]
CID 3230214
Pyrrolidine-1,2-dicarboxylic acid 1-[(2,6-dimethyl-phenyl)-amide] 2-[(3-methyl-4-tetrazol-1-yl-phenyl)-amide]
CID 3230348
N-(4-methoxycarboxylaminophenyl)-7-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)-5-oxo-1,2,3,5-tetrahydroindolizine-3-carboxamide
CID 118319745

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chlorophenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-chlorophenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 3219837) is 1-N-(3-chlorophenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-chlorophenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-chlorophenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide is Cc1cc(NC(=O)C2CCCN2C(=O)Nc2cccc(Cl)c2)ccc1-n1cnnn1.
What is the InChIKey of 1-N-(3-chlorophenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is VXSYWWKSCZIIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN7O2/c1-13-10-16(7-8-17(13)28-12-22-25-26-28)23-19(29)18-6-3-9-27(18)20(30)24-15-5-2-4-14(21)11-15/h2,4-5,7-8,10-12,18H,3,6,9H2,1H3,(H,23,29)(H,24,30).
What are the key properties of 1-N-(3-chlorophenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
1-N-(3-chlorophenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 425.88 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chlorophenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).