N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide

C20H16F6N2O2 — CID 38371299

IUPACN-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)cc1
InChIInChI=1S/C20H16F6N2O2/c21-19(22,23)14-7-13(8-15(9-14)20(24,25)26)18(30)28(16-5-6-16)10-11-1-3-12(4-2-11)17(27)29/h1-4,7-9,16H,5-6,10H2,(H2,27,29)
InChIKeyMSMIETFUJUEMBK-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.63
Rot. Bonds5

About N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide

N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide (PubChem CID 38371299) has the molecular formula C20H16F6N2O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide
PubChem CID38371299
Molecular FormulaC20H16F6N2O2
Molecular Weight430.35 g/mol
Exact Mass430.11
IUPAC NameN-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)cc1
InChIInChI=1S/C20H16F6N2O2/c21-19(22,23)14-7-13(8-15(9-14)20(24,25)26)18(30)28(16-5-6-16)10-11-1-3-12(4-2-11)17(27)29/h1-4,7-9,16H,5-6,10H2,(H2,27,29)
InChIKeyMSMIETFUJUEMBK-UHFFFAOYSA-N
XLogP4.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide
CID 38363519
5-bromo-N-[(4-carbamoylphenyl)methyl]-2-chloro-N-cyclopropylbenzamide
CID 38371276
4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide
CID 38371562
4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide
CID 38371513
4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride
CID 119291590
N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 78851238
4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 47155368
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46579110
N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 38532650
4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
CID 37154016
4-[[cyclopropyl-[(2S)-2-methylsulfanylpropanoyl]amino]methyl]benzamide
CID 39881839
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
CID 56511666

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide (CID 38371299) is N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide is NC(=O)c1ccc(CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)cc1.
What is the InChIKey of N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is MSMIETFUJUEMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N2O2/c21-19(22,23)14-7-13(8-15(9-14)20(24,25)26)18(30)28(16-5-6-16)10-11-1-3-12(4-2-11)17(27)29/h1-4,7-9,16H,5-6,10H2,(H2,27,29).
What are the key properties of N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide?
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 430.35 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 38371299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).