4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride

C15H22ClF3N2O2 — CID 120558845

IUPAC4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)CCC(C)N.Cl
InChIInChI=1S/C15H21F3N2O2.ClH/c1-3-8-22-13-6-5-11(15(16,17)18)9-12(13)20-14(21)7-4-10(2)19;/h5-6,9-10H,3-4,7-8,19H2,1-2H3,(H,20,21);1H
InChIKeyQULKHWKZWXKMHM-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.98
Rot. Bonds7

About 4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride

4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride (PubChem CID 120558845) has the molecular formula C15H22ClF3N2O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
PubChem CID120558845
Molecular FormulaC15H22ClF3N2O2
Molecular Weight354.80 g/mol
Exact Mass354.13
IUPAC Name4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)CCC(C)N.Cl
InChIInChI=1S/C15H21F3N2O2.ClH/c1-3-8-22-13-6-5-11(15(16,17)18)9-12(13)20-14(21)7-4-10(2)19;/h5-6,9-10H,3-4,7-8,19H2,1-2H3,(H,20,21);1H
InChIKeyQULKHWKZWXKMHM-UHFFFAOYSA-N
XLogP3.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120559768
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 55336790
2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 78777880
4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 120561553
4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120559676
2-(4-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 8800716
4-amino-N-(3,4-dipropoxyphenyl)pentanamide
CID 120558926
2-(2-acetamidophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7867264

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride (CID 120558845) is 4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride is CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCC(C)N.Cl.
What is the InChIKey of 4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride?
The InChIKey is QULKHWKZWXKMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2.ClH/c1-3-8-22-13-6-5-11(15(16,17)18)9-12(13)20-14(21)7-4-10(2)19;/h5-6,9-10H,3-4,7-8,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride?
4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride has a molecular weight of 354.80 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 120558845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).