(2R)-N-[(1S)-1-(4-chlorophenyl)-2-hydrazinyl-2-oxoethyl]-1-[4-(dimethoxymethyl)benzoyl]pyrrolidine-2-carboxamide

C23H27ClN4O5 — CID 102454242

IUPAC(2R)-N-[(1S)-1-(4-chlorophenyl)-2-hydrazinyl-2-oxoethyl]-1-[4-(dimethoxymethyl)benzoyl]pyrrolidine-2-carboxamide
SMILESCOC(OC)c1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)NN)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H27ClN4O5/c1-32-23(33-2)16-7-5-15(6-8-16)22(31)28-13-3-4-18(28)20(29)26-19(21(30)27-25)14-9-11-17(24)12-10-14/h5-12,18-19,23H,3-4,13,25H2,1-2H3,(H,26,29)(H,27,30)/t18-,19+/m1/s1
InChIKeyVXFZXPAWWDITHM-MOPGFXCFSA-N
MW474.95 g/mol
LogP2.08
Rot. Bonds8

About (2R)-N-[(1S)-1-(4-chlorophenyl)-2-hydrazinyl-2-oxoethyl]-1-[4-(dimethoxymethyl)benzoyl]pyrrolidine-2-carboxamide

(2R)-N-[(1S)-1-(4-chlorophenyl)-2-hydrazinyl-2-oxoethyl]-1-[4-(dimethoxymethyl)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 102454242) has the molecular formula C23H27ClN4O5 and a molecular weight of 474.95 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(4-chlorophenyl)-2-hydrazinyl-2-oxoethyl]-1-[4-(dimethoxymethyl)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(4-chlorophenyl)-2-hydrazinyl-2-oxoethyl]-1-[4-(dimethoxymethyl)benzoyl]pyrrolidine-2-carboxamide
PubChem CID102454242
Molecular FormulaC23H27ClN4O5
Molecular Weight474.95 g/mol
Exact Mass474.17
IUPAC Name(2R)-N-[(1S)-1-(4-chlorophenyl)-2-hydrazinyl-2-oxoethyl]-1-[4-(dimethoxymethyl)benzoyl]pyrrolidine-2-carboxamide
SMILESCOC(OC)c1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)NN)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H27ClN4O5/c1-32-23(33-2)16-7-5-15(6-8-16)22(31)28-13-3-4-18(28)20(29)26-19(21(30)27-25)14-9-11-17(24)12-10-14/h5-12,18-19,23H,3-4,13,25H2,1-2H3,(H,26,29)(H,27,30)/t18-,19+/m1/s1
InChIKeyVXFZXPAWWDITHM-MOPGFXCFSA-N
XLogP2.08
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[4-(dimethoxymethyl)benzoyl]-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide
CID 100951099
(2R)-1-[4-(dimethoxymethyl)benzoyl]-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 102290347
(2R)-1-[4-(dimethoxymethyl)benzoyl]-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
CID 102392381
(2S)-1-benzoyl-N-[(1S)-2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 162739482
1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide
CID 78798467
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
(2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 95278526
(2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 92664892
tert-butyl (2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 51968674
(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 92664894
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
(2S)-1-benzoyl-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 39984741

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(4-chlorophenyl)-2-hydrazinyl-2-oxoethyl]-1-[4-(dimethoxymethyl)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(1S)-1-(4-chlorophenyl)-2-hydrazinyl-2-oxoethyl]-1-[4-(dimethoxymethyl)benzoyl]pyrrolidine-2-carboxamide (CID 102454242) is (2R)-N-[(1S)-1-(4-chlorophenyl)-2-hydrazinyl-2-oxoethyl]-1-[4-(dimethoxymethyl)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(4-chlorophenyl)-2-hydrazinyl-2-oxoethyl]-1-[4-(dimethoxymethyl)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-1-(4-chlorophenyl)-2-hydrazinyl-2-oxoethyl]-1-[4-(dimethoxymethyl)benzoyl]pyrrolidine-2-carboxamide is COC(OC)c1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)NN)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-N-[(1S)-1-(4-chlorophenyl)-2-hydrazinyl-2-oxoethyl]-1-[4-(dimethoxymethyl)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is VXFZXPAWWDITHM-MOPGFXCFSA-N. The full InChI is InChI=1S/C23H27ClN4O5/c1-32-23(33-2)16-7-5-15(6-8-16)22(31)28-13-3-4-18(28)20(29)26-19(21(30)27-25)14-9-11-17(24)12-10-14/h5-12,18-19,23H,3-4,13,25H2,1-2H3,(H,26,29)(H,27,30)/t18-,19+/m1/s1.
What are the key properties of (2R)-N-[(1S)-1-(4-chlorophenyl)-2-hydrazinyl-2-oxoethyl]-1-[4-(dimethoxymethyl)benzoyl]pyrrolidine-2-carboxamide?
(2R)-N-[(1S)-1-(4-chlorophenyl)-2-hydrazinyl-2-oxoethyl]-1-[4-(dimethoxymethyl)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 474.95 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(4-chlorophenyl)-2-hydrazinyl-2-oxoethyl]-1-[4-(dimethoxymethyl)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102454242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).