N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2,3,4-trifluorobenzamide

C18H16F4N2O2 — CID 113054680

IUPACN-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2,3,4-trifluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)c(F)c1F)Cc1ccc(F)cc1
InChIInChI=1S/C18H16F4N2O2/c1-11(25)24(10-12-2-4-13(19)5-3-12)9-8-23-18(26)14-6-7-15(20)17(22)16(14)21/h2-7H,8-10H2,1H3,(H,23,26)
InChIKeyUHOFSRNOUOGRNE-UHFFFAOYSA-N
MW368.33 g/mol
LogP3.02
Rot. Bonds6

About N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2,3,4-trifluorobenzamide

N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2,3,4-trifluorobenzamide (PubChem CID 113054680) has the molecular formula C18H16F4N2O2 and a molecular weight of 368.33 g/mol. Its IUPAC name is N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2,3,4-trifluorobenzamide
PubChem CID113054680
Molecular FormulaC18H16F4N2O2
Molecular Weight368.33 g/mol
Exact Mass368.11
IUPAC NameN-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2,3,4-trifluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)c(F)c1F)Cc1ccc(F)cc1
InChIInChI=1S/C18H16F4N2O2/c1-11(25)24(10-12-2-4-13(19)5-3-12)9-8-23-18(26)14-6-7-15(20)17(22)16(14)21/h2-7H,8-10H2,1H3,(H,23,26)
InChIKeyUHOFSRNOUOGRNE-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 113056455
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide
CID 113054651
N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-2,3,4-trifluorobenzamide
CID 113057088
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113054653
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113059125
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113057810
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113060098
N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 22660909
N-[2-(diethylcarbamoylamino)ethyl]-2,3,4-trifluorobenzamide
CID 108574424
N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 113054821
2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide
CID 91723454
N-(2-bromoethyl)-2,3,4-trifluorobenzamide
CID 79749872

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2,3,4-trifluorobenzamide (CID 113054680) is N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2,3,4-trifluorobenzamide is CC(=O)N(CCNC(=O)c1ccc(F)c(F)c1F)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2,3,4-trifluorobenzamide?
The InChIKey is UHOFSRNOUOGRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O2/c1-11(25)24(10-12-2-4-13(19)5-3-12)9-8-23-18(26)14-6-7-15(20)17(22)16(14)21/h2-7H,8-10H2,1H3,(H,23,26).
What are the key properties of N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2,3,4-trifluorobenzamide?
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2,3,4-trifluorobenzamide has a molecular weight of 368.33 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 113054680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).