2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide

C17H21BrN2O — CID 80973497

IUPAC2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide
SMILESCC(Nc1ccc2cc(Br)ccc2c1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H21BrN2O/c1-11(16(21)20-17(2,3)4)19-15-8-6-12-9-14(18)7-5-13(12)10-15/h5-11,19H,1-4H3,(H,20,21)
InChIKeyNWPZMWLMQVEZHK-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.32
Rot. Bonds3

About 2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide

2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide (PubChem CID 80973497) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide
PubChem CID80973497
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide
SMILESCC(Nc1ccc2cc(Br)ccc2c1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H21BrN2O/c1-11(16(21)20-17(2,3)4)19-15-8-6-12-9-14(18)7-5-13(12)10-15/h5-11,19H,1-4H3,(H,20,21)
InChIKeyNWPZMWLMQVEZHK-UHFFFAOYSA-N
XLogP4.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(naphthalen-2-ylamino)propanamide
CID 43401178
2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide
CID 65437707
(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide
CID 35994885
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide
CID 65489625
N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide
CID 115378236
2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide
CID 43126681
N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide
CID 43087018
N-tert-butyl-2-(4-ethylanilino)propanamide
CID 45282110
N-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide
CID 113464422
N-tert-butyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanamide
CID 45282112
(2R)-N-tert-butyl-2-(3-methyl-4-nitroanilino)propanamide
CID 95904358

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide (CID 80973497) is 2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide is CC(Nc1ccc2cc(Br)ccc2c1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide?
The InChIKey is NWPZMWLMQVEZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-11(16(21)20-17(2,3)4)19-15-8-6-12-9-14(18)7-5-13(12)10-15/h5-11,19H,1-4H3,(H,20,21).
What are the key properties of 2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide?
2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide has a molecular weight of 349.27 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide is sourced from PubChem (CID 80973497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).