(2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide

C11H12ClN3O3 — CID 104900585

IUPAC(2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN1
InChIInChI=1S/C11H12ClN3O3/c12-7-3-4-8(10(6-7)15(17)18)14-11(16)9-2-1-5-13-9/h3-4,6,9,13H,1-2,5H2,(H,14,16)/t9-/m1/s1
InChIKeyGEFJZWSKSOVFLP-SECBINFHSA-N
MW269.69 g/mol
LogP1.94
Rot. Bonds3

About (2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide

(2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide (PubChem CID 104900585) has the molecular formula C11H12ClN3O3 and a molecular weight of 269.69 g/mol. Its IUPAC name is (2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide
PubChem CID104900585
Molecular FormulaC11H12ClN3O3
Molecular Weight269.69 g/mol
Exact Mass269.06
IUPAC Name(2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN1
InChIInChI=1S/C11H12ClN3O3/c12-7-3-4-8(10(6-7)15(17)18)14-11(16)9-2-1-5-13-9/h3-4,6,9,13H,1-2,5H2,(H,14,16)/t9-/m1/s1
InChIKeyGEFJZWSKSOVFLP-SECBINFHSA-N
XLogP1.94
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 51.94
H-Bond Donors ≤ 52
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-(5-chloro-2-nitrophenyl)azepane-2-carboxamide
CID 64563599
(2S)-N-(4-methyl-2-nitrophenyl)piperidine-2-carboxamide
CID 104913031
(2S)-N-(2-chloro-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 61180184
5-chloro-2-(pyrrolidine-2-carbonylamino)benzoic acid
CID 61157828
(2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide
CID 104914354
N-(4-chloro-2-nitrophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890991
methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate
CID 66680324
(2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide
CID 104913032
(2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide
CID 104913764
N-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide
CID 82864265
N-(2-fluoro-6-nitrophenyl)pyrrolidine-2-carboxamide
CID 81310199
N-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83193364

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide (CID 104900585) is (2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN1.
What is the InChIKey of (2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide?
The InChIKey is GEFJZWSKSOVFLP-SECBINFHSA-N. The full InChI is InChI=1S/C11H12ClN3O3/c12-7-3-4-8(10(6-7)15(17)18)14-11(16)9-2-1-5-13-9/h3-4,6,9,13H,1-2,5H2,(H,14,16)/t9-/m1/s1.
What are the key properties of (2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide?
(2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide has a molecular weight of 269.69 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 104900585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).