2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide

C17H16F3N3O3 — CID 38260097

IUPAC2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CNC(=O)NCc1ccccc1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)26-14-8-4-7-13(9-14)23-15(24)11-22-16(25)21-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,23,24)(H2,21,22,25)
InChIKeyXJPBYGWNRMBDNP-UHFFFAOYSA-N
MW367.33 g/mol
LogP3.02
Rot. Bonds6

About 2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide

2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 38260097) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID38260097
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CNC(=O)NCc1ccccc1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)26-14-8-4-7-13(9-14)23-15(24)11-22-16(25)21-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,23,24)(H2,21,22,25)
InChIKeyXJPBYGWNRMBDNP-UHFFFAOYSA-N
XLogP3.02
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 78924197
N-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide
CID 86995360
1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 71250825
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
3-chloro-N-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]benzamide
CID 38033870
5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide
CID 110304605
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
1-(3-chloro-4-methylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 3865446
N-[3-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]phenyl]acetamide
CID 86994660
2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide
CID 24559411

Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide (CID 38260097) is 2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide is O=C(CNC(=O)NCc1ccccc1)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is XJPBYGWNRMBDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c18-17(19,20)26-14-8-4-7-13(9-14)23-15(24)11-22-16(25)21-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,23,24)(H2,21,22,25).
What are the key properties of 2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide?
2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 367.33 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 38260097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).