2-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-cyclopropylacetamide

C17H19BrN2O2 — CID 9285985

IUPAC2-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)Cc1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C17H19BrN2O2/c1-20(10-17(22)19-13-4-5-13)9-15-14-6-3-12(18)8-11(14)2-7-16(15)21/h2-3,6-8,13,21H,4-5,9-10H2,1H3,(H,19,22)
InChIKeyYTBGHOBTDRQZDG-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.02
Rot. Bonds5

About 2-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-cyclopropylacetamide

2-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-cyclopropylacetamide (PubChem CID 9285985) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 2-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-cyclopropylacetamide
PubChem CID9285985
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name2-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)Cc1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C17H19BrN2O2/c1-20(10-17(22)19-13-4-5-13)9-15-14-6-3-12(18)8-11(14)2-7-16(15)21/h2-3,6-8,13,21H,4-5,9-10H2,1H3,(H,19,22)
InChIKeyYTBGHOBTDRQZDG-UHFFFAOYSA-N
XLogP3.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 106268832
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide
CID 27098608
2-[(3-bromo-4-fluorophenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 54980387
2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 114370914
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 8911502
2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 55241095
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 47113782
2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide
CID 60681642
N-cyclopropyl-2-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]acetamide
CID 9053294
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 8790519
N-cyclopropyl-2-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-methylamino]acetamide
CID 105351871
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 43575631

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-cyclopropylacetamide (CID 9285985) is 2-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)Cc1c(O)ccc2cc(Br)ccc12.
What is the InChIKey of 2-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is YTBGHOBTDRQZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-20(10-17(22)19-13-4-5-13)9-15-14-6-3-12(18)8-11(14)2-7-16(15)21/h2-3,6-8,13,21H,4-5,9-10H2,1H3,(H,19,22).
What are the key properties of 2-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-cyclopropylacetamide?
2-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 363.26 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 9285985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).