N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide

C22H23F3N2O2 — CID 56593317

IUPACN-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C1CCCCCC1
InChIInChI=1S/C22H23F3N2O2/c23-22(24,25)16-10-7-11-17(14-16)26-21(29)18-12-5-6-13-19(18)27-20(28)15-8-3-1-2-4-9-15/h5-7,10-15H,1-4,8-9H2,(H,26,29)(H,27,28)
InChIKeyIIWZJZLNNDCNKN-UHFFFAOYSA-N
MW404.43 g/mol
LogP5.87
Rot. Bonds4

About N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide

N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide (PubChem CID 56593317) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide
PubChem CID56593317
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC NameN-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C1CCCCCC1
InChIInChI=1S/C22H23F3N2O2/c23-22(24,25)16-10-7-11-17(14-16)26-21(29)18-12-5-6-13-19(18)27-20(28)15-8-3-1-2-4-9-15/h5-7,10-15H,1-4,8-9H2,(H,26,29)(H,27,28)
InChIKeyIIWZJZLNNDCNKN-UHFFFAOYSA-N
XLogP5.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.43
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1313916
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119305471
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
2-(cyclohexanecarbonylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]benzamide
CID 56593308
3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3978789
2-(cyclobutanecarbonylamino)-N-phenylbenzamide
CID 17426180
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-(4-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide
CID 90010681
2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide
CID 110602595
2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90011775
2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4107878
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24671974

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide?
The IUPAC name of N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide (CID 56593317) is N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide.
What is the SMILES notation for N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide?
The canonical SMILES for N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C1CCCCCC1.
What is the InChIKey of N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide?
The InChIKey is IIWZJZLNNDCNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c23-22(24,25)16-10-7-11-17(14-16)26-21(29)18-12-5-6-13-19(18)27-20(28)15-8-3-1-2-4-9-15/h5-7,10-15H,1-4,8-9H2,(H,26,29)(H,27,28).
What are the key properties of N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide?
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide has a molecular weight of 404.43 g/mol, XLogP of 5.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide is sourced from PubChem (CID 56593317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).