7-[3-(cyclopropanecarbonylamino)phenyl]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C21H22N2O3 — CID 56601360

IUPAC7-[3-(cyclopropanecarbonylamino)phenyl]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NO)C1CCc2ccc(-c3cccc(NC(=O)C4CC4)c3)cc2C1
InChIInChI=1S/C21H22N2O3/c24-20(14-6-7-14)22-19-3-1-2-15(12-19)16-8-4-13-5-9-17(21(25)23-26)11-18(13)10-16/h1-4,8,10,12,14,17,26H,5-7,9,11H2,(H,22,24)(H,23,25)
InChIKeyJDECRIHRHWCHRI-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.31
Rot. Bonds4

About 7-[3-(cyclopropanecarbonylamino)phenyl]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide

7-[3-(cyclopropanecarbonylamino)phenyl]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 56601360) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 7-[3-(cyclopropanecarbonylamino)phenyl]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name7-[3-(cyclopropanecarbonylamino)phenyl]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID56601360
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name7-[3-(cyclopropanecarbonylamino)phenyl]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NO)C1CCc2ccc(-c3cccc(NC(=O)C4CC4)c3)cc2C1
InChIInChI=1S/C21H22N2O3/c24-20(14-6-7-14)22-19-3-1-2-15(12-19)16-8-4-13-5-9-17(21(25)23-26)11-18(13)10-16/h1-4,8,10,12,14,17,26H,5-7,9,11H2,(H,22,24)(H,23,25)
InChIKeyJDECRIHRHWCHRI-UHFFFAOYSA-N
XLogP3.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.31
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

N-hydroxy-7-(1H-indol-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58055322
(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 56601558
N-hydroxy-7-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58055219
N-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107620504
N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173830
methyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate
CID 123209447
methyl 7-(3-aminophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 66660910
6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58055291
N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173848
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126922
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 108748401
N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide
CID 166188841

Frequently Asked Questions

What is the IUPAC name of 7-[3-(cyclopropanecarbonylamino)phenyl]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 7-[3-(cyclopropanecarbonylamino)phenyl]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 56601360) is 7-[3-(cyclopropanecarbonylamino)phenyl]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 7-[3-(cyclopropanecarbonylamino)phenyl]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 7-[3-(cyclopropanecarbonylamino)phenyl]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(NO)C1CCc2ccc(-c3cccc(NC(=O)C4CC4)c3)cc2C1.
What is the InChIKey of 7-[3-(cyclopropanecarbonylamino)phenyl]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is JDECRIHRHWCHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-20(14-6-7-14)22-19-3-1-2-15(12-19)16-8-4-13-5-9-17(21(25)23-26)11-18(13)10-16/h1-4,8,10,12,14,17,26H,5-7,9,11H2,(H,22,24)(H,23,25).
What are the key properties of 7-[3-(cyclopropanecarbonylamino)phenyl]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
7-[3-(cyclopropanecarbonylamino)phenyl]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(cyclopropanecarbonylamino)phenyl]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 56601360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).