N-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide

C22H23F3N2O2 — CID 78890969

IUPACN-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)C2CC2c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C22H23F3N2O2/c1-21(2,3)27-19(28)14-5-4-6-16(11-14)26-20(29)18-12-17(18)13-7-9-15(10-8-13)22(23,24)25/h4-11,17-18H,12H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyLKYSJNAMMAJUPP-UHFFFAOYSA-N
MW404.43 g/mol
LogP4.98
Rot. Bonds4

About N-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide

N-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide (PubChem CID 78890969) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
PubChem CID78890969
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC NameN-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)C2CC2c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C22H23F3N2O2/c1-21(2,3)27-19(28)14-5-4-6-16(11-14)26-20(29)18-12-17(18)13-7-9-15(10-8-13)22(23,24)25/h4-11,17-18H,12H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyLKYSJNAMMAJUPP-UHFFFAOYSA-N
XLogP4.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009742
(1S,6R)-6-[[3-(tert-butylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94599038
4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 134055582
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 843468
N-[3-[(Z)-N-[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]amino]-C-methylcarbonimidoyl]phenyl]-3-fluorobenzamide
CID 6002056
N-(3-acetamido-4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134050960
N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833776
N-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283628
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112835572
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide (CID 78890969) is N-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide is CC(C)(C)NC(=O)c1cccc(NC(=O)C2CC2c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide?
The InChIKey is LKYSJNAMMAJUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c1-21(2,3)27-19(28)14-5-4-6-16(11-14)26-20(29)18-12-17(18)13-7-9-15(10-8-13)22(23,24)25/h4-11,17-18H,12H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide?
N-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide has a molecular weight of 404.43 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 78890969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).