(2R)-1-(2-chloro-4-nitrobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide

C15H16ClN3O4 — CID 94061702

IUPAC(2R)-1-(2-chloro-4-nitrobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H16ClN3O4/c16-12-8-10(19(22)23)5-6-11(12)15(21)18-7-1-2-13(18)14(20)17-9-3-4-9/h5-6,8-9,13H,1-4,7H2,(H,17,20)/t13-/m1/s1
InChIKeyGOBFJZIRDWOMCB-CYBMUJFWSA-N
MW337.76 g/mol
LogP2.13
Rot. Bonds4

About (2R)-1-(2-chloro-4-nitrobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide

(2R)-1-(2-chloro-4-nitrobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 94061702) has the molecular formula C15H16ClN3O4 and a molecular weight of 337.76 g/mol. Its IUPAC name is (2R)-1-(2-chloro-4-nitrobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2-chloro-4-nitrobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID94061702
Molecular FormulaC15H16ClN3O4
Molecular Weight337.76 g/mol
Exact Mass337.08
IUPAC Name(2R)-1-(2-chloro-4-nitrobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H16ClN3O4/c16-12-8-10(19(22)23)5-6-11(12)15(21)18-7-1-2-13(18)14(20)17-9-3-4-9/h5-6,8-9,13H,1-4,7H2,(H,17,20)/t13-/m1/s1
InChIKeyGOBFJZIRDWOMCB-CYBMUJFWSA-N
XLogP2.13
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 52.13
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

1-(2-chloro-5-nitrobenzoyl)pyrrolidine-2-carboxylic acid
CID 43387148
2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide
CID 78877015
(2S)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 94061701
(2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 94061700
2-chloro-N-cycloheptyl-4-nitrobenzamide
CID 732198
(2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 68685984
(2S)-N-cyclohexyl-1-(2,3,4-trifluoro-5-nitrobenzoyl)pyrrolidine-2-carboxamide
CID 110313250
(2R)-1-(2-fluoro-4-nitrobenzoyl)pyrrolidine-2-carboxylic acid
CID 78922399
(2-chloro-4-nitrophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3605259
1-(2-bromo-4-nitrobenzoyl)pyrrolidine-2-carboxylic acid
CID 119356874
2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide
CID 4611426
(3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride
CID 119378331

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chloro-4-nitrobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(2-chloro-4-nitrobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide (CID 94061702) is (2R)-1-(2-chloro-4-nitrobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(2-chloro-4-nitrobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(2-chloro-4-nitrobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide is O=C(NC1CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of (2R)-1-(2-chloro-4-nitrobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is GOBFJZIRDWOMCB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16ClN3O4/c16-12-8-10(19(22)23)5-6-11(12)15(21)18-7-1-2-13(18)14(20)17-9-3-4-9/h5-6,8-9,13H,1-4,7H2,(H,17,20)/t13-/m1/s1.
What are the key properties of (2R)-1-(2-chloro-4-nitrobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
(2R)-1-(2-chloro-4-nitrobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 337.76 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chloro-4-nitrobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 94061702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).