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

C13H18F3N3O — CID 119290968

IUPAC2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCCNc1ccc(C(F)(F)F)cc1NC(=O)CN
InChIInChI=1S/C13H18F3N3O/c1-2-3-6-18-10-5-4-9(13(14,15)16)7-11(10)19-12(20)8-17/h4-5,7,18H,2-3,6,8,17H2,1H3,(H,19,20)
InChIKeyWAVJEHSEVWOPBG-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.81
Rot. Bonds6

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

2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 119290968) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID119290968
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCCNc1ccc(C(F)(F)F)cc1NC(=O)CN
InChIInChI=1S/C13H18F3N3O/c1-2-3-6-18-10-5-4-9(13(14,15)16)7-11(10)19-12(20)8-17/h4-5,7,18H,2-3,6,8,17H2,1H3,(H,19,20)
InChIKeyWAVJEHSEVWOPBG-UHFFFAOYSA-N
XLogP2.81
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.81
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
4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide
CID 119290972
3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride
CID 119893579
2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119893557
2-(butylamino)-5-(trifluoromethyl)benzoic acid
CID 22143324
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 43707397
2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid
CID 66270672
2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 119893578
N-[2,4-bis(trifluoromethyl)phenyl]butanamide
CID 90927396
1-butyl-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 115670789
N-butyl-2-nitro-4-(trifluoromethyl)aniline
CID 15785099
2-(butylamino)-5-(trifluoromethyl)benzonitrile
CID 43153532

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide (CID 119290968) is 2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide is CCCCNc1ccc(C(F)(F)F)cc1NC(=O)CN.
What is the InChIKey of 2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WAVJEHSEVWOPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-2-3-6-18-10-5-4-9(13(14,15)16)7-11(10)19-12(20)8-17/h4-5,7,18H,2-3,6,8,17H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide?
2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 289.30 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 119290968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).