N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide

C16H10F6N2O2 — CID 1013270

IUPACN-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H10F6N2O2/c17-15(18,19)10-5-9(6-11(7-10)16(20,21)22)14(26)24-12-3-1-8(2-4-12)13(23)25/h1-7H,(H2,23,25)(H,24,26)
InChIKeyJBXAQEQBTSLVJX-UHFFFAOYSA-N
MW376.26 g/mol
LogP4.08
Rot. Bonds3

About N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide

N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 1013270) has the molecular formula C16H10F6N2O2 and a molecular weight of 376.26 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID1013270
Molecular FormulaC16H10F6N2O2
Molecular Weight376.26 g/mol
Exact Mass376.06
IUPAC NameN-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H10F6N2O2/c17-15(18,19)10-5-9(6-11(7-10)16(20,21)22)14(26)24-12-3-1-8(2-4-12)13(23)25/h1-7H,(H2,23,25)(H,24,26)
InChIKeyJBXAQEQBTSLVJX-UHFFFAOYSA-N
XLogP4.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
3-(4-carbamoylphenyl)-5-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 139392279
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 108896282
2-[[4-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetic acid
CID 45435057
3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 151068564
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 45428652
N-(2-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 60592332
N-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166822202
N-[3-(diaminomethylideneamino)-4-methylphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 11553181
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 46540432

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide (CID 1013270) is N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide is NC(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is JBXAQEQBTSLVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N2O2/c17-15(18,19)10-5-9(6-11(7-10)16(20,21)22)14(26)24-12-3-1-8(2-4-12)13(23)25/h1-7H,(H2,23,25)(H,24,26).
What are the key properties of N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide?
N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 376.26 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 1013270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).