5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide

C19H19F3N2O — CID 120636519

IUPAC5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C19H19F3N2O/c1-12-6-7-15(23)11-16(12)17(25)24-18(8-3-9-18)13-4-2-5-14(10-13)19(20,21)22/h2,4-7,10-11H,3,8-9,23H2,1H3,(H,24,25)
InChIKeyKVCYZLVDHFESSQ-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.41
Rot. Bonds3

About 5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide

5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide (PubChem CID 120636519) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide
PubChem CID120636519
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C19H19F3N2O/c1-12-6-7-15(23)11-16(12)17(25)24-18(8-3-9-18)13-4-2-5-14(10-13)19(20,21)22/h2,4-7,10-11H,3,8-9,23H2,1H3,(H,24,25)
InChIKeyKVCYZLVDHFESSQ-UHFFFAOYSA-N
XLogP4.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide
CID 119806400
2,4,5-trimethoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide
CID 166186485
5-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-methylbenzamide;hydrochloride
CID 120619239
2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride
CID 119806409
4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide
CID 120563496
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
CID 120593516
methyl N-[3-oxo-3-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]amino]propyl]carbamate
CID 71998913
2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride
CID 119806417
N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide
CID 71997220
3-amino-N-[1-(3-methylphenyl)cyclopentyl]benzamide
CID 119770621
5-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylbenzamide
CID 120625917
3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
CID 119806424

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide (CID 120636519) is 5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide is Cc1ccc(N)cc1C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of 5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide?
The InChIKey is KVCYZLVDHFESSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-12-6-7-15(23)11-16(12)17(25)24-18(8-3-9-18)13-4-2-5-14(10-13)19(20,21)22/h2,4-7,10-11H,3,8-9,23H2,1H3,(H,24,25).
What are the key properties of 5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide?
5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide has a molecular weight of 348.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide is sourced from PubChem (CID 120636519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).