N-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide

C19H20F3N3O2 — CID 119775980

IUPACN-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide
SMILESCNCCCC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3N3O2/c1-23-10-4-9-17(26)24-15-7-3-8-16(12-15)25-18(27)13-5-2-6-14(11-13)19(20,21)22/h2-3,5-8,11-12,23H,4,9-10H2,1H3,(H,24,26)(H,25,27)
InChIKeyYCLKUHFODNNXDB-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.90
Rot. Bonds7

About N-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 119775980) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID119775980
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide
SMILESCNCCCC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3N3O2/c1-23-10-4-9-17(26)24-15-7-3-8-16(12-15)25-18(27)13-5-2-6-14(11-13)19(20,21)22/h2-3,5-8,11-12,23H,4,9-10H2,1H3,(H,24,26)(H,25,27)
InChIKeyYCLKUHFODNNXDB-UHFFFAOYSA-N
XLogP3.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[4-(methylamino)butanoylamino]benzamide
CID 61259505
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 119775990
6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide
CID 12857135
N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide
CID 86646005
4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46500977
N-[3,5-bis(trifluoromethyl)phenyl]-4-(methylamino)butanamide
CID 119672496
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-(3-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide
CID 2665623
3-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2366241

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide (CID 119775980) is N-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide is CNCCCC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is YCLKUHFODNNXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-23-10-4-9-17(26)24-15-7-3-8-16(12-15)25-18(27)13-5-2-6-14(11-13)19(20,21)22/h2-3,5-8,11-12,23H,4,9-10H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 379.38 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 119775980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).