N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide

C19H20ClN3O3 — CID 26795079

IUPACN-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide
SMILESO=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20ClN3O3/c20-17-6-2-1-5-16(17)18(22-11-3-4-12-22)13-21-19(24)14-7-9-15(10-8-14)23(25)26/h1-2,5-10,18H,3-4,11-13H2,(H,21,24)/t18-/m0/s1
InChIKeyNHUNBDLBLYMAHA-SFHVURJKSA-N
MW373.84 g/mol
LogP3.82
Rot. Bonds6

About N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide

N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide (PubChem CID 26795079) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide
PubChem CID26795079
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide
SMILESO=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20ClN3O3/c20-17-6-2-1-5-16(17)18(22-11-3-4-12-22)13-21-19(24)14-7-9-15(10-8-14)23(25)26/h1-2,5-10,18H,3-4,11-13H2,(H,21,24)/t18-/m0/s1
InChIKeyNHUNBDLBLYMAHA-SFHVURJKSA-N
XLogP3.82
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-cyanobenzamide
CID 9302511
N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide
CID 35043367
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 17011529
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide
CID 26795013
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 35043648
N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]-3-nitrobenzamide
CID 41453920
4-chloro-3-nitro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 8798745
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 45351971
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 41111350
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17012011
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
CID 55609911

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide (CID 26795079) is N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide is O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide?
The InChIKey is NHUNBDLBLYMAHA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c20-17-6-2-1-5-16(17)18(22-11-3-4-12-22)13-21-19(24)14-7-9-15(10-8-14)23(25)26/h1-2,5-10,18H,3-4,11-13H2,(H,21,24)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide?
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide has a molecular weight of 373.84 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide is sourced from PubChem (CID 26795079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).