(2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide

C19H17N3O3 — CID 9345649

IUPAC(2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide
SMILESC[C@H](Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H17N3O3/c1-13(20-16-7-4-8-18(12-16)22(24)25)19(23)21-17-10-9-14-5-2-3-6-15(14)11-17/h2-13,20H,1H3,(H,21,23)/t13-/m0/s1
InChIKeyCEEYEAPWDLEQQZ-ZDUSSCGKSA-N
MW335.36 g/mol
LogP4.19
Rot. Bonds5

About (2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide

(2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide (PubChem CID 9345649) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide
PubChem CID9345649
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide
SMILESC[C@H](Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H17N3O3/c1-13(20-16-7-4-8-18(12-16)22(24)25)19(23)21-17-10-9-14-5-2-3-6-15(14)11-17/h2-13,20H,1H3,(H,21,23)/t13-/m0/s1
InChIKeyCEEYEAPWDLEQQZ-ZDUSSCGKSA-N
XLogP4.19
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.19
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

(2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 9274223
2-(3-chloro-4-methylanilino)-N-(3-nitrophenyl)propanamide
CID 46799452
(2R)-2-(1,3-benzodioxol-5-ylamino)-N-(3-nitrophenyl)propanamide
CID 2466995
2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide
CID 134032594
(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(3-nitrophenyl)propanamide
CID 25473815
2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 78666889
(2S)-2-(3-nitroanilino)-N-(2-phenylphenyl)propanamide
CID 9345580
N-tert-butyl-2-(3-nitroanilino)propanamide
CID 115573854
N-cyclopropyl-4-[[1-(3-nitroanilino)-1-oxopropan-2-yl]amino]benzamide
CID 55511519
(2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide
CID 9274186
(2R)-2-(naphthalen-2-ylamino)-N-(4-sulfamoylphenyl)propanamide
CID 7775072
2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide
CID 78708039

Frequently Asked Questions

What is the IUPAC name of (2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide?
The IUPAC name of (2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide (CID 9345649) is (2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide.
What is the SMILES notation for (2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide?
The canonical SMILES for (2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide is C[C@H](Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of (2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide?
The InChIKey is CEEYEAPWDLEQQZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-13(20-16-7-4-8-18(12-16)22(24)25)19(23)21-17-10-9-14-5-2-3-6-15(14)11-17/h2-13,20H,1H3,(H,21,23)/t13-/m0/s1.
What are the key properties of (2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide?
(2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide has a molecular weight of 335.36 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide is sourced from PubChem (CID 9345649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).