N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide

C19H16F3N3O2 — CID 34509270

IUPACN-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCNC(=O)c1cc2ccccc2[nH]1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)14-7-5-12(6-8-14)17(26)23-9-10-24-18(27)16-11-13-3-1-2-4-15(13)25-16/h1-8,11,25H,9-10H2,(H,23,26)(H,24,27)
InChIKeyYCZFRBPMHYWSFU-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.35
Rot. Bonds5

About N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide

N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide (PubChem CID 34509270) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide
PubChem CID34509270
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC NameN-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCNC(=O)c1cc2ccccc2[nH]1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)14-7-5-12(6-8-14)17(26)23-9-10-24-18(27)16-11-13-3-1-2-4-15(13)25-16/h1-8,11,25H,9-10H2,(H,23,26)(H,24,27)
InChIKeyYCZFRBPMHYWSFU-UHFFFAOYSA-N
XLogP3.35
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide
CID 34999950
N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]-1H-indole-2-carboxamide
CID 4281908
N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide
CID 86930540
N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
CID 146087723
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-[2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethyl]-1H-indole-2-carboxamide
CID 141259293
N-[3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1H-indole-2-carboxamide
CID 3618443
methyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate
CID 86917311
N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796
N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 103082568
N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 29135128
N-[2-[[6-[(Z)-hydroxyiminomethyl]-1-methylpyridin-1-ium-3-carbonyl]amino]ethyl]-1H-indole-2-carboxamide
CID 135840112

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide (CID 34509270) is N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide is O=C(NCCNC(=O)c1cc2ccccc2[nH]1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide?
The InChIKey is YCZFRBPMHYWSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)14-7-5-12(6-8-14)17(26)23-9-10-24-18(27)16-11-13-3-1-2-4-15(13)25-16/h1-8,11,25H,9-10H2,(H,23,26)(H,24,27).
What are the key properties of N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide?
N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide has a molecular weight of 375.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 34509270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).