(2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide

C15H13BrN2O3 — CID 895338

IUPAC(2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1Br)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13BrN2O3/c1-10(11-6-8-12(9-7-11)18(20)21)15(19)17-14-5-3-2-4-13(14)16/h2-10H,1H3,(H,17,19)/t10-/m0/s1
InChIKeyPLWLYGDFLUYICW-JTQLQIEISA-N
MW349.18 g/mol
LogP4.10
Rot. Bonds4

About (2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide

(2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide (PubChem CID 895338) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is (2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide
PubChem CID895338
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name(2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1Br)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13BrN2O3/c1-10(11-6-8-12(9-7-11)18(20)21)15(19)17-14-5-3-2-4-13(14)16/h2-10H,1H3,(H,17,19)/t10-/m0/s1
InChIKeyPLWLYGDFLUYICW-JTQLQIEISA-N
XLogP4.10
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-bromophenyl)-2-(3-nitrophenyl)propanamide
CID 106592005
(2R)-N-(2-chlorophenyl)-2-(4-nitrophenyl)propanamide
CID 895147
N-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide
CID 2944727
(2S)-2-(4-nitrophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 895294
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
N-(3-bromo-2-methylphenyl)-2-phenylpropanamide
CID 104917334
(2R)-N-(3-fluorophenyl)-2-(4-nitrophenyl)propanamide
CID 894565
(2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide
CID 966380
N-(2-bromophenyl)-2-(4-nitroanilino)acetamide
CID 4780880
(2R)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111459
(2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111458
(2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide
CID 2111469

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide?
The IUPAC name of (2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide (CID 895338) is (2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide.
What is the SMILES notation for (2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide?
The canonical SMILES for (2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide is C[C@H](C(=O)Nc1ccccc1Br)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide?
The InChIKey is PLWLYGDFLUYICW-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-10(11-6-8-12(9-7-11)18(20)21)15(19)17-14-5-3-2-4-13(14)16/h2-10H,1H3,(H,17,19)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide?
(2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide has a molecular weight of 349.18 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide is sourced from PubChem (CID 895338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).