N-hydroxy-7-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C23H21F3N4O3 — CID 87094591

IUPACN-hydroxy-7-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCn1cc(-c2cc(C(=O)Nc3ccc4c(c3)CC(C(=O)NO)CC4)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C23H21F3N4O3/c1-30-12-18(11-27-30)15-7-17(9-19(8-15)23(24,25)26)21(31)28-20-5-4-13-2-3-14(22(32)29-33)6-16(13)10-20/h4-5,7-12,14,33H,2-3,6H2,1H3,(H,28,31)(H,29,32)
InChIKeyBMGCORMSZPUFOU-UHFFFAOYSA-N
MW458.44 g/mol
LogP3.97
Rot. Bonds4

About N-hydroxy-7-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-hydroxy-7-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 87094591) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is N-hydroxy-7-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-7-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID87094591
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC NameN-hydroxy-7-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCn1cc(-c2cc(C(=O)Nc3ccc4c(c3)CC(C(=O)NO)CC4)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C23H21F3N4O3/c1-30-12-18(11-27-30)15-7-17(9-19(8-15)23(24,25)26)21(31)28-20-5-4-13-2-3-14(22(32)29-33)6-16(13)10-20/h4-5,7-12,14,33H,2-3,6H2,1H3,(H,28,31)(H,29,32)
InChIKeyBMGCORMSZPUFOU-UHFFFAOYSA-N
XLogP3.97
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-2,8-dimethyl-6-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]quinoline-3-carboxamide
CID 88883095
3-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide
CID 99700724
N-[2-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide
CID 25298907
3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276
3-fluoro-N-[2-(2-methylanilino)-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
CID 167512016
N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide
CID 110482049
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 134808074
4-bromo-N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 81448839
N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33167941
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-(trifluoromethyl)benzamide
CID 16942827
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 169417027

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-hydroxy-7-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 87094591) is N-hydroxy-7-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-hydroxy-7-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-hydroxy-7-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is Cn1cc(-c2cc(C(=O)Nc3ccc4c(c3)CC(C(=O)NO)CC4)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-hydroxy-7-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is BMGCORMSZPUFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-30-12-18(11-27-30)15-7-17(9-19(8-15)23(24,25)26)21(31)28-20-5-4-13-2-3-14(22(32)29-33)6-16(13)10-20/h4-5,7-12,14,33H,2-3,6H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-hydroxy-7-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-hydroxy-7-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 87094591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).