N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide

C14H21FN2O — CID 106153590

IUPACN-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)NCCCC(C)CN)c1
InChIInChI=1S/C14H21FN2O/c1-10(9-16)4-3-5-17-14(18)12-6-11(2)7-13(15)8-12/h6-8,10H,3-5,9,16H2,1-2H3,(H,17,18)
InChIKeyKUOFLBKKFCENPZ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.24
Rot. Bonds6

About N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide

N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide (PubChem CID 106153590) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide
PubChem CID106153590
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)NCCCC(C)CN)c1
InChIInChI=1S/C14H21FN2O/c1-10(9-16)4-3-5-17-14(18)12-6-11(2)7-13(15)8-12/h6-8,10H,3-5,9,16H2,1-2H3,(H,17,18)
InChIKeyKUOFLBKKFCENPZ-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 115659969
N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide
CID 106152842
N-(4-aminopentyl)-3,5-dimethylbenzamide
CID 114146406
N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide
CID 106243543
3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 122142996
N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide
CID 106153328
3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide
CID 113340834
3-fluoro-N-(5-hydroxy-4-methylpentyl)-5-nitrobenzamide
CID 103862016
3,4,5-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861735
N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide
CID 114150778
N-(4-azidobutyl)-3-fluoro-5-methylbenzamide
CID 106386517
N-(5-amino-4-methylpentyl)-2-(2,6-difluorophenyl)acetamide
CID 106152815

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide?
The IUPAC name of N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide (CID 106153590) is N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide?
The canonical SMILES for N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide is Cc1cc(F)cc(C(=O)NCCCC(C)CN)c1.
What is the InChIKey of N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide?
The InChIKey is KUOFLBKKFCENPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(9-16)4-3-5-17-14(18)12-6-11(2)7-13(15)8-12/h6-8,10H,3-5,9,16H2,1-2H3,(H,17,18).
What are the key properties of N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide?
N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide has a molecular weight of 252.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide is sourced from PubChem (CID 106153590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).