N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide

C14H15BrN2O — CID 104877086

IUPACN-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
SMILESC[C@H](CN)NC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H15BrN2O/c1-9(8-16)17-14(18)12-3-2-11-7-13(15)5-4-10(11)6-12/h2-7,9H,8,16H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyHUTLSSAYOWQBCW-SECBINFHSA-N
MW307.19 g/mol
LogP2.68
Rot. Bonds3

About N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide

N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide (PubChem CID 104877086) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
PubChem CID104877086
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
SMILESC[C@H](CN)NC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H15BrN2O/c1-9(8-16)17-14(18)12-3-2-11-7-13(15)5-4-10(11)6-12/h2-7,9H,8,16H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyHUTLSSAYOWQBCW-SECBINFHSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide
CID 115353882
6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide
CID 115354010
6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide
CID 115354026
N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride
CID 120507967
N-[(2S)-1-aminopropan-2-yl]-3-bromo-4-methylbenzamide;hydrochloride
CID 120507815
6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide
CID 115283084
(2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid
CID 115353671
2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 115353629
6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177
6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide
CID 115354023
2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 115353635
6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide
CID 67105818

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide (CID 104877086) is N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide is C[C@H](CN)NC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide?
The InChIKey is HUTLSSAYOWQBCW-SECBINFHSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9(8-16)17-14(18)12-3-2-11-7-13(15)5-4-10(11)6-12/h2-7,9H,8,16H2,1H3,(H,17,18)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide?
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide has a molecular weight of 307.19 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide is sourced from PubChem (CID 104877086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).