2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide

C17H15F3N2O2 — CID 108542494

IUPAC2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
SMILESCc1cccc(C(=O)NCCNC(=O)c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C17H15F3N2O2/c1-10-3-2-4-11(9-10)16(23)21-7-8-22-17(24)12-5-6-13(18)15(20)14(12)19/h2-6,9H,7-8H2,1H3,(H,21,23)(H,22,24)
InChIKeyHQSMEJXVCBGSIE-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.57
Rot. Bonds5

About 2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide

2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide (PubChem CID 108542494) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
PubChem CID108542494
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
SMILESCc1cccc(C(=O)NCCNC(=O)c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C17H15F3N2O2/c1-10-3-2-4-11(9-10)16(23)21-7-8-22-17(24)12-5-6-13(18)15(20)14(12)19/h2-6,9H,7-8H2,1H3,(H,21,23)(H,22,24)
InChIKeyHQSMEJXVCBGSIE-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573742
N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108542898
2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573745
(3-methylphenyl) 2-[(2,3,4-trifluorobenzoyl)amino]acetate
CID 110670433
N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108542173
2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108539173
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide
CID 108538687
(2,3-difluorophenyl)-(3-methylphenyl)methanone
CID 63987550
ethyl N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]carbamate
CID 108574418
2,3,4-trifluoro-N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321334
N-(4-bromobutyl)-2,3,4-trifluorobenzamide
CID 106845799
2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 108539998

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide (CID 108542494) is 2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide is Cc1cccc(C(=O)NCCNC(=O)c2ccc(F)c(F)c2F)c1.
What is the InChIKey of 2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide?
The InChIKey is HQSMEJXVCBGSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-10-3-2-4-11(9-10)16(23)21-7-8-22-17(24)12-5-6-13(18)15(20)14(12)19/h2-6,9H,7-8H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide?
2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide has a molecular weight of 336.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 108542494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).