5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide

C13H16F3N3O3 — CID 38207270

IUPAC5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide
SMILESNC(=O)NCCCCC(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H16F3N3O3/c14-13(15,16)22-10-5-3-4-9(8-10)19-11(20)6-1-2-7-18-12(17)21/h3-5,8H,1-2,6-7H2,(H,19,20)(H3,17,18,21)
InChIKeyNHFJJSOMTLYKHK-UHFFFAOYSA-N
MW319.28 g/mol
LogP2.36
Rot. Bonds7

About 5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide

5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide (PubChem CID 38207270) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is 5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide
PubChem CID38207270
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC Name5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide
SMILESNC(=O)NCCCCC(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H16F3N3O3/c14-13(15,16)22-10-5-3-4-9(8-10)19-11(20)6-1-2-7-18-12(17)21/h3-5,8H,1-2,6-7H2,(H,19,20)(H3,17,18,21)
InChIKeyNHFJJSOMTLYKHK-UHFFFAOYSA-N
XLogP2.36
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 60850049
6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide
CID 167849259
5-(carbamoylamino)-N-(3-methylphenyl)pentanamide
CID 9039147
5-(carbamoylamino)-N-(3-iodophenyl)pentanamide
CID 47114708
methyl 6-[[3-(trifluoromethoxy)phenyl]carbamoylamino]hexanoate
CID 87007664
tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate
CID 38207855
N-(3-methoxyphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide
CID 171343840
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 78924197
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774

Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide?
The IUPAC name of 5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide (CID 38207270) is 5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide.
What is the SMILES notation for 5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide?
The canonical SMILES for 5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide is NC(=O)NCCCCC(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide?
The InChIKey is NHFJJSOMTLYKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c14-13(15,16)22-10-5-3-4-9(8-10)19-11(20)6-1-2-7-18-12(17)21/h3-5,8H,1-2,6-7H2,(H,19,20)(H3,17,18,21).
What are the key properties of 5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide?
5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide has a molecular weight of 319.28 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide is sourced from PubChem (CID 38207270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).