2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide

C17H21BrN2O — CID 81266788

IUPAC2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H21BrN2O/c1-11(2)12(3)20-17(21)10-19-16-7-5-13-8-15(18)6-4-14(13)9-16/h4-9,11-12,19H,10H2,1-3H3,(H,20,21)
InChIKeyWTNJZVQKJLXLIO-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.17
Rot. Bonds5

About 2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide

2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 81266788) 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-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID81266788
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H21BrN2O/c1-11(2)12(3)20-17(21)10-19-16-7-5-13-8-15(18)6-4-14(13)9-16/h4-9,11-12,19H,10H2,1-3H3,(H,20,21)
InChIKeyWTNJZVQKJLXLIO-UHFFFAOYSA-N
XLogP4.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 80973341
2-(naphthalen-2-ylamino)-N-propan-2-ylacetamide
CID 43398270
N-(6-bromonaphthalen-2-yl)-3-methylbutanamide
CID 81259381
2-(4-bromoanilino)-N-propan-2-ylacetamide
CID 17401945
4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide
CID 81260425
2-[4-(dimethylamino)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 60685378
2-(3-ethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60688155
2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide
CID 33007137
2-(4-bromo-2,6-dichloroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 55195038
2-[3-(dimethylamino)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 78914085
2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 116621827
2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 87029683

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide (CID 81266788) is 2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CNc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is WTNJZVQKJLXLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-11(2)12(3)20-17(21)10-19-16-7-5-13-8-15(18)6-4-14(13)9-16/h4-9,11-12,19H,10H2,1-3H3,(H,20,21).
What are the key properties of 2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 349.27 g/mol, XLogP of 4.17, 5 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-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 81266788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).