N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide

C20H21F3N2O2 — CID 51181257

IUPACN-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide
SMILESCC(NC(=O)CCCNC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N2O2/c1-14(16-9-5-10-17(13-16)20(21,22)23)25-18(26)11-6-12-24-19(27)15-7-3-2-4-8-15/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,24,27)(H,25,26)
InChIKeySAKHCSDQUCDLQC-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.09
Rot. Bonds7

About N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide

N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide (PubChem CID 51181257) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide.

Molecular Properties

Compound NameN-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide
PubChem CID51181257
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide
SMILESCC(NC(=O)CCCNC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N2O2/c1-14(16-9-5-10-17(13-16)20(21,22)23)25-18(26)11-6-12-24-19(27)15-7-3-2-4-8-15/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,24,27)(H,25,26)
InChIKeySAKHCSDQUCDLQC-UHFFFAOYSA-N
XLogP4.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 40817603
4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 16621291
N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide
CID 46464874
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]ethyl]sulfanylacetic acid
CID 115575103
2-(2-methoxyethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 78913899
1-benzyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 27533694
N-[4-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-4-oxobutyl]benzamide
CID 42958527
N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 8912081
4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide
CID 60865016

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide?
The IUPAC name of N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide (CID 51181257) is N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide.
What is the SMILES notation for N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide?
The canonical SMILES for N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide is CC(NC(=O)CCCNC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide?
The InChIKey is SAKHCSDQUCDLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-14(16-9-5-10-17(13-16)20(21,22)23)25-18(26)11-6-12-24-19(27)15-7-3-2-4-8-15/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide?
N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide has a molecular weight of 378.39 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide is sourced from PubChem (CID 51181257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).