5-[1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide

C15H13ClF3N3O3S — CID 53374051

IUPAC5-[1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide
SMILESCC(NC(=O)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(C(=O)NO)s1
InChIInChI=1S/C15H13ClF3N3O3S/c1-7(11-4-5-12(26-11)13(23)22-25)20-14(24)21-10-3-2-8(6-9(10)16)15(17,18)19/h2-7,25H,1H3,(H,22,23)(H2,20,21,24)
InChIKeyQHQAETRWOFRPFF-UHFFFAOYSA-N
MW407.80 g/mol
LogP4.42
Rot. Bonds4

About 5-[1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide

5-[1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide (PubChem CID 53374051) has the molecular formula C15H13ClF3N3O3S and a molecular weight of 407.80 g/mol. Its IUPAC name is 5-[1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide
PubChem CID53374051
Molecular FormulaC15H13ClF3N3O3S
Molecular Weight407.80 g/mol
Exact Mass407.03
IUPAC Name5-[1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide
SMILESCC(NC(=O)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(C(=O)NO)s1
InChIInChI=1S/C15H13ClF3N3O3S/c1-7(11-4-5-12(26-11)13(23)22-25)20-14(24)21-10-3-2-8(6-9(10)16)15(17,18)19/h2-7,25H,1H3,(H,22,23)(H2,20,21,24)
InChIKeyQHQAETRWOFRPFF-UHFFFAOYSA-N
XLogP4.42
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.80
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

5-[1-[(4-chloro-3-methylphenyl)carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide
CID 58418295
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide
CID 17102264
1-[1-(4-bromophenyl)ethyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 3379513
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1-phenylethyl)urea
CID 17087713
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 43707417
1-[(1R)-1-(5-methylthiophen-2-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 95976952
2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide
CID 63669317
(2S)-2-[[4-[4-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]amino]-3-methylbutanoic acid
CID 52933907
2-acetamido-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-sulfanylpropanamide
CID 107769554
3-[2-chloro-4-(trifluoromethyl)anilino]butanoic acid
CID 55234535
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide
CID 166140537
N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine
CID 54381375

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide?
The IUPAC name of 5-[1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide (CID 53374051) is 5-[1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide?
The canonical SMILES for 5-[1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide is CC(NC(=O)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(C(=O)NO)s1.
What is the InChIKey of 5-[1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide?
The InChIKey is QHQAETRWOFRPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O3S/c1-7(11-4-5-12(26-11)13(23)22-25)20-14(24)21-10-3-2-8(6-9(10)16)15(17,18)19/h2-7,25H,1H3,(H,22,23)(H2,20,21,24).
What are the key properties of 5-[1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide?
5-[1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide has a molecular weight of 407.80 g/mol, XLogP of 4.42, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide is sourced from PubChem (CID 53374051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).