N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide

C18H17F3N2O2 — CID 108542898

IUPACN-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccc(F)c(F)c2F)cc1C
InChIInChI=1S/C18H17F3N2O2/c1-10-3-4-12(9-11(10)2)17(24)22-7-8-23-18(25)13-5-6-14(19)16(21)15(13)20/h3-6,9H,7-8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyRLPTZNBNDSOQOV-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.88
Rot. Bonds5

About N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide

N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide (PubChem CID 108542898) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
PubChem CID108542898
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccc(F)c(F)c2F)cc1C
InChIInChI=1S/C18H17F3N2O2/c1-10-3-4-12(9-11(10)2)17(24)22-7-8-23-18(25)13-5-6-14(19)16(21)15(13)20/h3-6,9H,7-8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyRLPTZNBNDSOQOV-UHFFFAOYSA-N
XLogP2.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.88
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

2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108542494
ethyl N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]carbamate
CID 108574418
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide
CID 78995301
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781
N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108542173
N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33321847
N-(4-bromobutyl)-2,3,4-trifluorobenzamide
CID 106845799
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873
N-(2-bromoethyl)-2,3,4-trifluorobenzamide
CID 79749872
2,3,4-trifluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide
CID 113101359
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
N-[2-(diethylcarbamoylamino)ethyl]-2,3,4-trifluorobenzamide
CID 108574424

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide (CID 108542898) is N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide is Cc1ccc(C(=O)NCCNC(=O)c2ccc(F)c(F)c2F)cc1C.
What is the InChIKey of N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide?
The InChIKey is RLPTZNBNDSOQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-10-3-4-12(9-11(10)2)17(24)22-7-8-23-18(25)13-5-6-14(19)16(21)15(13)20/h3-6,9H,7-8H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide?
N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide has a molecular weight of 350.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 108542898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).