7-(4-bromoanilino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C17H17BrN2O2 — CID 56932604

IUPAC7-(4-bromoanilino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CC(Nc1ccc(Br)cc1)CC2
InChIInChI=1S/C17H17BrN2O2/c18-14-4-7-15(8-5-14)19-16-6-3-11-1-2-12(17(21)20-22)9-13(11)10-16/h1-2,4-5,7-9,16,19,22H,3,6,10H2,(H,20,21)
InChIKeyYJSXGGIIMGDPMK-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.54
Rot. Bonds3

About 7-(4-bromoanilino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide

7-(4-bromoanilino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 56932604) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 7-(4-bromoanilino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name7-(4-bromoanilino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID56932604
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name7-(4-bromoanilino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CC(Nc1ccc(Br)cc1)CC2
InChIInChI=1S/C17H17BrN2O2/c18-14-4-7-15(8-5-14)19-16-6-3-11-1-2-12(17(21)20-22)9-13(11)10-16/h1-2,4-5,7-9,16,19,22H,3,6,10H2,(H,20,21)
InChIKeyYJSXGGIIMGDPMK-UHFFFAOYSA-N
XLogP3.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(7S)-7-(2,2-dimethylpropanoylamino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 86731183
(4-chlorophenyl) N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 56602367
N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 58055390
N-hydroxy-7-pyridin-4-yloxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 58055501
7-[[4-(3-chlorophenyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56932697
N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2-carboxamide
CID 88580832
6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627261
2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid
CID 62317637
6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627793
[4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea
CID 93294306
N-hydroxy-6-piperidin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 58055632
N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 10065196

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromoanilino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 7-(4-bromoanilino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 56932604) is 7-(4-bromoanilino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 7-(4-bromoanilino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 7-(4-bromoanilino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(NO)c1ccc2c(c1)CC(Nc1ccc(Br)cc1)CC2.
What is the InChIKey of 7-(4-bromoanilino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is YJSXGGIIMGDPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c18-14-4-7-15(8-5-14)19-16-6-3-11-1-2-12(17(21)20-22)9-13(11)10-16/h1-2,4-5,7-9,16,19,22H,3,6,10H2,(H,20,21).
What are the key properties of 7-(4-bromoanilino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
7-(4-bromoanilino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 361.24 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromoanilino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 56932604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).