2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide

C17H17F3N2O — CID 112980375

IUPAC2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
SMILESCC(C)CNc1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C17H17F3N2O/c1-10(2)9-21-11-3-5-12(6-4-11)22-17(23)13-7-8-14(18)16(20)15(13)19/h3-8,10,21H,9H2,1-2H3,(H,22,23)
InChIKeyNUZWYLSCKFEVSU-UHFFFAOYSA-N
MW322.33 g/mol
LogP4.42
Rot. Bonds5

About 2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide

2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide (PubChem CID 112980375) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
PubChem CID112980375
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
SMILESCC(C)CNc1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C17H17F3N2O/c1-10(2)9-21-11-3-5-12(6-4-11)22-17(23)13-7-8-14(18)16(20)15(13)19/h3-8,10,21H,9H2,1-2H3,(H,22,23)
InChIKeyNUZWYLSCKFEVSU-UHFFFAOYSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-acetamidoanilino)phenyl]-2,3,4-trifluorobenzamide
CID 112988382
2,3,4-trifluoro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982662
2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112502704
2,3,4-trifluoro-N-[4-(N-methylanilino)phenyl]benzamide
CID 112986117
3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980338
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
2,3,4-trifluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 110725048
2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
CID 28902871
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
CID 112997585
2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120827825
2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide
CID 112980356
2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94915286

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide (CID 112980375) is 2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide is CC(C)CNc1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide?
The InChIKey is NUZWYLSCKFEVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-10(2)9-21-11-3-5-12(6-4-11)22-17(23)13-7-8-14(18)16(20)15(13)19/h3-8,10,21H,9H2,1-2H3,(H,22,23).
What are the key properties of 2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide?
2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide has a molecular weight of 322.33 g/mol, XLogP of 4.42, 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-[4-(2-methylpropylamino)phenyl]benzamide is sourced from PubChem (CID 112980375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).