5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide

C14H21FN2O2 — CID 107197446

IUPAC5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide
SMILESCc1cc(N)cc(C(=O)N(C)CCCCCO)c1F
InChIInChI=1S/C14H21FN2O2/c1-10-8-11(16)9-12(13(10)15)14(19)17(2)6-4-3-5-7-18/h8-9,18H,3-7,16H2,1-2H3
InChIKeyYRSLFOYKKZYYAO-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.95
Rot. Bonds6

About 5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide

5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide (PubChem CID 107197446) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide
PubChem CID107197446
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide
SMILESCc1cc(N)cc(C(=O)N(C)CCCCCO)c1F
InChIInChI=1S/C14H21FN2O2/c1-10-8-11(16)9-12(13(10)15)14(19)17(2)6-4-3-5-7-18/h8-9,18H,3-7,16H2,1-2H3
InChIKeyYRSLFOYKKZYYAO-UHFFFAOYSA-N
XLogP1.95
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
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

5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197368
6-hydroxyhexyl 5-amino-2-fluoro-3-methylbenzoate
CID 107706269
4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199071
5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide
CID 103296717
5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197364
5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103295957
2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202624
2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide
CID 107197361
5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 103296803
5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide
CID 103295990
5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide
CID 103295681
5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide
CID 103296926

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide?
The IUPAC name of 5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide (CID 107197446) is 5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide is Cc1cc(N)cc(C(=O)N(C)CCCCCO)c1F.
What is the InChIKey of 5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide?
The InChIKey is YRSLFOYKKZYYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-10-8-11(16)9-12(13(10)15)14(19)17(2)6-4-3-5-7-18/h8-9,18H,3-7,16H2,1-2H3.
What are the key properties of 5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide?
5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide has a molecular weight of 268.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide is sourced from PubChem (CID 107197446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).