N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]-1H-indole-2-carboxamide

C23H16F3N3O — CID 4281908

IUPACN-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]-1H-indole-2-carboxamide
SMILESO=C(NN=C(c1ccccc1)c1ccc(C(F)(F)F)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)18-12-10-16(11-13-18)21(15-6-2-1-3-7-15)28-29-22(30)20-14-17-8-4-5-9-19(17)27-20/h1-14,27H,(H,29,30)
InChIKeySECVABZUOSMHKV-UHFFFAOYSA-N
MW407.40 g/mol
LogP5.37
Rot. Bonds4

About N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]-1H-indole-2-carboxamide

N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]-1H-indole-2-carboxamide (PubChem CID 4281908) has the molecular formula C23H16F3N3O and a molecular weight of 407.40 g/mol. Its IUPAC name is N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]-1H-indole-2-carboxamide
PubChem CID4281908
Molecular FormulaC23H16F3N3O
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC NameN-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]-1H-indole-2-carboxamide
SMILESO=C(NN=C(c1ccccc1)c1ccc(C(F)(F)F)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)18-12-10-16(11-13-18)21(15-6-2-1-3-7-15)28-29-22(30)20-14-17-8-4-5-9-19(17)27-20/h1-14,27H,(H,29,30)
InChIKeySECVABZUOSMHKV-UHFFFAOYSA-N
XLogP5.37
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.40
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide
CID 34509270
5-phenyl-N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]furan-2-carboxamide
CID 4664621
N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 22097779
N-[3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1H-indole-2-carboxamide
CID 3618443
N-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-2-carboxamide
CID 67645013
ethane;1H-indole-2-carboxylic acid
CID 91052830
N-(N-bromo-N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 22097827
potassium N-oxido-1H-indole-2-carboxamide
CID 23661896
N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 123184701
3-[[amino-(1H-indole-2-carbonylamino)methylidene]amino]propanoic acid
CID 67645669
N-[(3-hydroxynaphthalen-2-yl)methylideneamino]-1H-indole-2-carboxamide
CID 175137572
N-(N'-benzylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
CID 22097838

Frequently Asked Questions

What is the IUPAC name of N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]-1H-indole-2-carboxamide?
The IUPAC name of N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]-1H-indole-2-carboxamide (CID 4281908) is N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]-1H-indole-2-carboxamide?
The canonical SMILES for N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]-1H-indole-2-carboxamide is O=C(NN=C(c1ccccc1)c1ccc(C(F)(F)F)cc1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]-1H-indole-2-carboxamide?
The InChIKey is SECVABZUOSMHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O/c24-23(25,26)18-12-10-16(11-13-18)21(15-6-2-1-3-7-15)28-29-22(30)20-14-17-8-4-5-9-19(17)27-20/h1-14,27H,(H,29,30).
What are the key properties of N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]-1H-indole-2-carboxamide?
N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]-1H-indole-2-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 4281908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).