N-hydroxy-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide

C18H14F3N3O3 — CID 11682310

IUPACN-hydroxy-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide
SMILESO=C(NCC#Cc1ccc(C(=O)NO)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O3/c19-18(20,21)14-7-9-15(10-8-14)23-17(26)22-11-1-2-12-3-5-13(6-4-12)16(25)24-27/h3-10,27H,11H2,(H,24,25)(H2,22,23,26)
InChIKeyYHPKSBMRARNZID-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.00
Rot. Bonds3

About N-hydroxy-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide

N-hydroxy-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide (PubChem CID 11682310) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is N-hydroxy-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide
PubChem CID11682310
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC NameN-hydroxy-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide
SMILESO=C(NCC#Cc1ccc(C(=O)NO)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O3/c19-18(20,21)14-7-9-15(10-8-14)23-17(26)22-11-1-2-12-3-5-13(6-4-12)16(25)24-27/h3-10,27H,11H2,(H,24,25)(H2,22,23,26)
InChIKeyYHPKSBMRARNZID-UHFFFAOYSA-N
XLogP3.00
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.00
H-Bond Donors ≤ 54
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide
CID 90553652
1-[3-(2-fluorophenyl)prop-2-ynyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90552592
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-4-(trifluoromethyl)benzamide
CID 90551871
1-(cyanomethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 61314990
1-[3-(4-acetylphenyl)prop-2-ynyl]-3-(4-chlorophenyl)urea
CID 90553271
2-amino-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 114777631
4-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide
CID 90553418
N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide
CID 90551549
4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549691
N-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51332685
N-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 18266632
4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide?
The IUPAC name of N-hydroxy-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide (CID 11682310) is N-hydroxy-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide?
The canonical SMILES for N-hydroxy-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide is O=C(NCC#Cc1ccc(C(=O)NO)cc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-hydroxy-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide?
The InChIKey is YHPKSBMRARNZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c19-18(20,21)14-7-9-15(10-8-14)23-17(26)22-11-1-2-12-3-5-13(6-4-12)16(25)24-27/h3-10,27H,11H2,(H,24,25)(H2,22,23,26).
What are the key properties of N-hydroxy-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide?
N-hydroxy-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide has a molecular weight of 377.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide is sourced from PubChem (CID 11682310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).