N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide

C18H15F3N2O2 — CID 25275995

IUPACN-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N2O2/c19-18(20,21)13-3-1-2-12(10-13)17(25)23-15-8-6-14(7-9-15)22-16(24)11-4-5-11/h1-3,6-11H,4-5H2,(H,22,24)(H,23,25)
InChIKeyVPALSXRISBWGDF-UHFFFAOYSA-N
MW348.32 g/mol
LogP4.31
Rot. Bonds4

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

N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 25275995) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID25275995
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC NameN-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N2O2/c19-18(20,21)13-3-1-2-12(10-13)17(25)23-15-8-6-14(7-9-15)22-16(24)11-4-5-11/h1-3,6-11H,4-5H2,(H,22,24)(H,23,25)
InChIKeyVPALSXRISBWGDF-UHFFFAOYSA-N
XLogP4.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3978789
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide
CID 29204823
N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide
CID 3751377
N-[4-methyl-3-[3-[(4-methylphenyl)carbamoyl]cyclohexyl]phenyl]-3-(trifluoromethyl)benzamide
CID 148779366
N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 33151643
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 120605659
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
N-[4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 34431383
N-[4-(cyclopropanecarbonylamino)phenyl]-3-phenoxybenzamide
CID 25276057
[2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid
CID 90214126

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide (CID 25275995) is N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is VPALSXRISBWGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c19-18(20,21)13-3-1-2-12(10-13)17(25)23-15-8-6-14(7-9-15)22-16(24)11-4-5-11/h1-3,6-11H,4-5H2,(H,22,24)(H,23,25).
What are the key properties of N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 348.32 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 25275995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).