2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide

C16H19BrN2O2 — CID 80973341

IUPAC2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H19BrN2O2/c1-11(10-21-2)19-16(20)9-18-15-6-4-12-7-14(17)5-3-13(12)8-15/h3-8,11,18H,9-10H2,1-2H3,(H,19,20)
InChIKeyPATQFNWQXRRVLQ-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.17
Rot. Bonds6

About 2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide

2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 80973341) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID80973341
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H19BrN2O2/c1-11(10-21-2)19-16(20)9-18-15-6-4-12-7-14(17)5-3-13(12)8-15/h3-8,11,18H,9-10H2,1-2H3,(H,19,20)
InChIKeyPATQFNWQXRRVLQ-UHFFFAOYSA-N
XLogP3.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 81266788
N-(1-methoxypropan-2-yl)-2-(4-propan-2-yloxyanilino)acetamide
CID 61487924
2-(5-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 54957373
2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 51252744
2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 107789246
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 60684179
2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 18161002
2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 79054522
2-[4-(diethylamino)anilino]-N-(1-methoxypropan-2-yl)acetamide
CID 60685420
2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 47170584
2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 62379921

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide (CID 80973341) is 2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CNc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is PATQFNWQXRRVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-11(10-21-2)19-16(20)9-18-15-6-4-12-7-14(17)5-3-13(12)8-15/h3-8,11,18H,9-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide?
2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 351.24 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 80973341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).