5-[2-amino-4-(trifluoromethyl)anilino]pentanamide

C12H16F3N3O — CID 106234030

IUPAC5-[2-amino-4-(trifluoromethyl)anilino]pentanamide
SMILESNC(=O)CCCCNc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)8-4-5-10(9(16)7-8)18-6-2-1-3-11(17)19/h4-5,7,18H,1-3,6,16H2,(H2,17,19)
InChIKeyCRZQQISKKRJBIH-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.36
Rot. Bonds6

About 5-[2-amino-4-(trifluoromethyl)anilino]pentanamide

5-[2-amino-4-(trifluoromethyl)anilino]pentanamide (PubChem CID 106234030) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 5-[2-amino-4-(trifluoromethyl)anilino]pentanamide.

Molecular Properties

Compound Name5-[2-amino-4-(trifluoromethyl)anilino]pentanamide
PubChem CID106234030
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name5-[2-amino-4-(trifluoromethyl)anilino]pentanamide
SMILESNC(=O)CCCCNc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)8-4-5-10(9(16)7-8)18-6-2-1-3-11(17)19/h4-5,7,18H,1-3,6,16H2,(H2,17,19)
InChIKeyCRZQQISKKRJBIH-UHFFFAOYSA-N
XLogP2.36
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-amino-4-(trifluoromethyl)anilino]propanamide
CID 43553390
5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide
CID 106238921
4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide
CID 79378514
3-amino-4-[(4-amino-4-oxobutyl)amino]benzoic acid
CID 54888280
5-(2-amino-4-cyanoanilino)pentanamide
CID 106234043
ethyl 3-amino-4-[(5-amino-5-oxopentyl)amino]benzoate
CID 106240798
3-[2-cyano-4-(trifluoromethyl)anilino]propanamide
CID 43553728
5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 114162427
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
5-[(3-amino-4-pyridinyl)amino]pentanamide
CID 106233945
5-(2-amino-5-methylanilino)pentanamide
CID 106234008
3-[2-amino-4-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 110480197

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-4-(trifluoromethyl)anilino]pentanamide?
The IUPAC name of 5-[2-amino-4-(trifluoromethyl)anilino]pentanamide (CID 106234030) is 5-[2-amino-4-(trifluoromethyl)anilino]pentanamide.
What is the SMILES notation for 5-[2-amino-4-(trifluoromethyl)anilino]pentanamide?
The canonical SMILES for 5-[2-amino-4-(trifluoromethyl)anilino]pentanamide is NC(=O)CCCCNc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 5-[2-amino-4-(trifluoromethyl)anilino]pentanamide?
The InChIKey is CRZQQISKKRJBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)8-4-5-10(9(16)7-8)18-6-2-1-3-11(17)19/h4-5,7,18H,1-3,6,16H2,(H2,17,19).
What are the key properties of 5-[2-amino-4-(trifluoromethyl)anilino]pentanamide?
5-[2-amino-4-(trifluoromethyl)anilino]pentanamide has a molecular weight of 275.27 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-4-(trifluoromethyl)anilino]pentanamide is sourced from PubChem (CID 106234030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).