N-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide

C16H16F3N3O3 — CID 134006588

IUPACN-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccco1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3O3/c17-16(18,19)12-5-3-11(4-6-12)10-22-15(24)21-8-7-20-14(23)13-2-1-9-25-13/h1-6,9H,7-8,10H2,(H,20,23)(H2,21,22,24)
InChIKeyFVOPWTHIOGOMEE-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.53
Rot. Bonds6

About N-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide

N-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide (PubChem CID 134006588) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide
PubChem CID134006588
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC NameN-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccco1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3O3/c17-16(18,19)12-5-3-11(4-6-12)10-22-15(24)21-8-7-20-14(23)13-2-1-9-25-13/h1-6,9H,7-8,10H2,(H,20,23)(H2,21,22,24)
InChIKeyFVOPWTHIOGOMEE-UHFFFAOYSA-N
XLogP2.53
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110894292
N-[2-[[N-ethyl-N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111420326
N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062902
N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36505080
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[2-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]ethyl]furan-2-carboxamide
CID 55549465
N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide
CID 122159869
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9162495

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide (CID 134006588) is N-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide is O=C(NCCNC(=O)c1ccco1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide?
The InChIKey is FVOPWTHIOGOMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c17-16(18,19)12-5-3-11(4-6-12)10-22-15(24)21-8-7-20-14(23)13-2-1-9-25-13/h1-6,9H,7-8,10H2,(H,20,23)(H2,21,22,24).
What are the key properties of N-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide?
N-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 134006588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).