N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide

C19H14F6N2O2 — CID 29204823

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H14F6N2O2/c20-18(21,22)12-7-13(19(23,24)25)9-15(8-12)27-17(29)11-3-5-14(6-4-11)26-16(28)10-1-2-10/h3-10H,1-2H2,(H,26,28)(H,27,29)
InChIKeyBMFSMFDLRKRERG-UHFFFAOYSA-N
MW416.32 g/mol
LogP5.32
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide

N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide (PubChem CID 29204823) has the molecular formula C19H14F6N2O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide
PubChem CID29204823
Molecular FormulaC19H14F6N2O2
Molecular Weight416.32 g/mol
Exact Mass416.10
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H14F6N2O2/c20-18(21,22)12-7-13(19(23,24)25)9-15(8-12)27-17(29)11-3-5-14(6-4-11)26-16(28)10-1-2-10/h3-10H,1-2H2,(H,26,28)(H,27,29)
InChIKeyBMFSMFDLRKRERG-UHFFFAOYSA-N
XLogP5.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.32
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 134118758
N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 25275995
N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide
CID 94844570
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 120605659
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 116699700
3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3978789
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 120605553
4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide
CID 9326139
4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 26908479

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide (CID 29204823) is N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide?
The InChIKey is BMFSMFDLRKRERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N2O2/c20-18(21,22)12-7-13(19(23,24)25)9-15(8-12)27-17(29)11-3-5-14(6-4-11)26-16(28)10-1-2-10/h3-10H,1-2H2,(H,26,28)(H,27,29).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide has a molecular weight of 416.32 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 29204823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).