(2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide

C19H20N4O4 — CID 8967638

IUPAC(2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESC[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H20N4O4/c1-13(19(25)21-16-5-2-3-6-17(16)23(26)27)20-14-8-10-15(11-9-14)22-12-4-7-18(22)24/h2-3,5-6,8-11,13,20H,4,7,12H2,1H3,(H,21,25)/t13-/m1/s1
InChIKeyMRPQPZNOSPOMJD-CYBMUJFWSA-N
MW368.39 g/mol
LogP3.16
Rot. Bonds6

About (2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide

(2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide (PubChem CID 8967638) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is (2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
PubChem CID8967638
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name(2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESC[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H20N4O4/c1-13(19(25)21-16-5-2-3-6-17(16)23(26)27)20-14-8-10-15(11-9-14)22-12-4-7-18(22)24/h2-3,5-6,8-11,13,20H,4,7,12H2,1H3,(H,21,25)/t13-/m1/s1
InChIKeyMRPQPZNOSPOMJD-CYBMUJFWSA-N
XLogP3.16
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25328467
N-(2-fluorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17493498
(2R)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25376489
2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27708565
(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8967599
4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide
CID 8967594
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17494587
(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967271
N-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 51248679
(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25354796
(2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide
CID 41104777
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25341128

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The IUPAC name of (2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide (CID 8967638) is (2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide.
What is the SMILES notation for (2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The canonical SMILES for (2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide is C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The InChIKey is MRPQPZNOSPOMJD-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-13(19(25)21-16-5-2-3-6-17(16)23(26)27)20-14-8-10-15(11-9-14)22-12-4-7-18(22)24/h2-3,5-6,8-11,13,20H,4,7,12H2,1H3,(H,21,25)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
(2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide has a molecular weight of 368.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide is sourced from PubChem (CID 8967638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).