N-[(1R)-1,2-diphenylethyl]-1-methyl-4-nitropyrrole-2-carboxamide

C20H19N3O3 — CID 32914872

IUPACN-[(1R)-1,2-diphenylethyl]-1-methyl-4-nitropyrrole-2-carboxamide
SMILESCn1cc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-22-14-17(23(25)26)13-19(22)20(24)21-18(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h2-11,13-14,18H,12H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyFOOJSZRBBZGPAX-GOSISDBHSA-N
MW349.39 g/mol
LogP3.65
Rot. Bonds6

About N-[(1R)-1,2-diphenylethyl]-1-methyl-4-nitropyrrole-2-carboxamide

N-[(1R)-1,2-diphenylethyl]-1-methyl-4-nitropyrrole-2-carboxamide (PubChem CID 32914872) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(1R)-1,2-diphenylethyl]-1-methyl-4-nitropyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1,2-diphenylethyl]-1-methyl-4-nitropyrrole-2-carboxamide
PubChem CID32914872
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[(1R)-1,2-diphenylethyl]-1-methyl-4-nitropyrrole-2-carboxamide
SMILESCn1cc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-22-14-17(23(25)26)13-19(22)20(24)21-18(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h2-11,13-14,18H,12H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyFOOJSZRBBZGPAX-GOSISDBHSA-N
XLogP3.65
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.65
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

3-hydroxy-2-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]propanoic acid
CID 43208897
3-(3,4-dimethylphenyl)-N-(1,2-diphenylethyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3946638
4-hydroxy-2-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]butanoic acid
CID 61244553
N-[1-(4-fluorophenyl)ethyl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 18102046
(2S)-3-methyl-2-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pentanoic acid
CID 61173781
methyl 2-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]propanoate
CID 60701979
N-(1-iodo-3-methylbutan-2-yl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 114010018
4-methoxy-2-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]butanoic acid
CID 62479993
1-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-3-phenylurea
CID 118706462
N-(1,2-diphenylethyl)-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4557755
N-(1-bromo-3-methoxypropan-2-yl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 106184509
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 1-methyl-4-nitropyrrole-2-carboxylate
CID 18102883

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2-diphenylethyl]-1-methyl-4-nitropyrrole-2-carboxamide?
The IUPAC name of N-[(1R)-1,2-diphenylethyl]-1-methyl-4-nitropyrrole-2-carboxamide (CID 32914872) is N-[(1R)-1,2-diphenylethyl]-1-methyl-4-nitropyrrole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1,2-diphenylethyl]-1-methyl-4-nitropyrrole-2-carboxamide?
The canonical SMILES for N-[(1R)-1,2-diphenylethyl]-1-methyl-4-nitropyrrole-2-carboxamide is Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-1,2-diphenylethyl]-1-methyl-4-nitropyrrole-2-carboxamide?
The InChIKey is FOOJSZRBBZGPAX-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-22-14-17(23(25)26)13-19(22)20(24)21-18(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h2-11,13-14,18H,12H2,1H3,(H,21,24)/t18-/m1/s1.
What are the key properties of N-[(1R)-1,2-diphenylethyl]-1-methyl-4-nitropyrrole-2-carboxamide?
N-[(1R)-1,2-diphenylethyl]-1-methyl-4-nitropyrrole-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2-diphenylethyl]-1-methyl-4-nitropyrrole-2-carboxamide is sourced from PubChem (CID 32914872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).