N-carbamoyl-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzamide

C17H12F6N2O3 — CID 160756565

IUPACN-carbamoyl-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzamide
SMILESNC(=O)N(C(=O)c1ccccc1)c1ccc(OC(F)(F)C(F)C(F)(F)F)cc1
InChIInChI=1S/C17H12F6N2O3/c18-14(16(19,20)21)17(22,23)28-12-8-6-11(7-9-12)25(15(24)27)13(26)10-4-2-1-3-5-10/h1-9,14H,(H2,24,27)
InChIKeyRXMXZHWYGWPKFW-UHFFFAOYSA-N
MW406.28 g/mol
LogP4.28
Rot. Bonds5

About N-carbamoyl-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzamide

N-carbamoyl-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzamide (PubChem CID 160756565) has the molecular formula C17H12F6N2O3 and a molecular weight of 406.28 g/mol. Its IUPAC name is N-carbamoyl-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzamide.

Molecular Properties

Compound NameN-carbamoyl-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzamide
PubChem CID160756565
Molecular FormulaC17H12F6N2O3
Molecular Weight406.28 g/mol
Exact Mass406.08
IUPAC NameN-carbamoyl-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzamide
SMILESNC(=O)N(C(=O)c1ccccc1)c1ccc(OC(F)(F)C(F)C(F)(F)F)cc1
InChIInChI=1S/C17H12F6N2O3/c18-14(16(19,20)21)17(22,23)28-12-8-6-11(7-9-12)25(15(24)27)13(26)10-4-2-1-3-5-10/h1-9,14H,(H2,24,27)
InChIKeyRXMXZHWYGWPKFW-UHFFFAOYSA-N
XLogP4.28
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzoic acid
CID 56628976
N-benzoyl-N-[4-(dibenzoylamino)phenyl]benzamide
CID 171577154
[2-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-phenylmethanone
CID 19821213
N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]pyridine-3-carboxamide
CID 21203387
N-(1,1,2,2-tetrafluoroethoxy)benzohydrazide
CID 175226791
4-(1,1,2,3,3,3-hexafluoropropoxy)-2-hydroxybenzoic acid
CID 22971768
2,4-bis(1,1,2,3,3,3-hexafluoropropoxy)benzoic acid
CID 162396628
1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethane-1,2-diamine
CID 170894654
N-phenyl-N-(trifluoromethylcarbamoyl)benzamide
CID 70182203
4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
CID 28946954
4-[[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]methylamino]-2,2-dimethylbutanoic acid
CID 122126742
(Z)-2-cyano-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-3-hydroxybut-2-enamide
CID 150075770

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzamide?
The IUPAC name of N-carbamoyl-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzamide (CID 160756565) is N-carbamoyl-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzamide.
What is the SMILES notation for N-carbamoyl-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzamide?
The canonical SMILES for N-carbamoyl-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzamide is NC(=O)N(C(=O)c1ccccc1)c1ccc(OC(F)(F)C(F)C(F)(F)F)cc1.
What is the InChIKey of N-carbamoyl-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzamide?
The InChIKey is RXMXZHWYGWPKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N2O3/c18-14(16(19,20)21)17(22,23)28-12-8-6-11(7-9-12)25(15(24)27)13(26)10-4-2-1-3-5-10/h1-9,14H,(H2,24,27).
What are the key properties of N-carbamoyl-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzamide?
N-carbamoyl-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzamide has a molecular weight of 406.28 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzamide is sourced from PubChem (CID 160756565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).