4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide

C15H22F3N3O — CID 119290972

IUPAC4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide
SMILESCCCCNc1ccc(C(F)(F)F)cc1NC(=O)CCCN
InChIInChI=1S/C15H22F3N3O/c1-2-3-9-20-12-7-6-11(15(16,17)18)10-13(12)21-14(22)5-4-8-19/h6-7,10,20H,2-5,8-9,19H2,1H3,(H,21,22)
InChIKeyKZPJWQRVQREQHL-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.59
Rot. Bonds8

About 4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide

4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide (PubChem CID 119290972) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is 4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide
PubChem CID119290972
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC Name4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide
SMILESCCCCNc1ccc(C(F)(F)F)cc1NC(=O)CCCN
InChIInChI=1S/C15H22F3N3O/c1-2-3-9-20-12-7-6-11(15(16,17)18)10-13(12)21-14(22)5-4-8-19/h6-7,10,20H,2-5,8-9,19H2,1H3,(H,21,22)
InChIKeyKZPJWQRVQREQHL-UHFFFAOYSA-N
XLogP3.59
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.59
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

3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide
CID 119290966
2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 119290968
3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride
CID 119893579
5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide
CID 81198138
2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119893557
3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119280151
2-(butylamino)-5-(trifluoromethyl)benzoic acid
CID 22143324
N-[2,4-bis(trifluoromethyl)phenyl]butanamide
CID 90927396
4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
CID 79192569
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-4-(methylamino)butanamide
CID 119775808
2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 119893578
ethyl 4-[2-fluoro-4-(trifluoromethyl)anilino]butanoate
CID 107303292

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide (CID 119290972) is 4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide is CCCCNc1ccc(C(F)(F)F)cc1NC(=O)CCCN.
What is the InChIKey of 4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide?
The InChIKey is KZPJWQRVQREQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O/c1-2-3-9-20-12-7-6-11(15(16,17)18)10-13(12)21-14(22)5-4-8-19/h6-7,10,20H,2-5,8-9,19H2,1H3,(H,21,22).
What are the key properties of 4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide?
4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide has a molecular weight of 317.36 g/mol, XLogP of 3.59, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 119290972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).