3-amino-5-fluoro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide

C14H21FN2O2 — CID 107150575

IUPAC3-amino-5-fluoro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)NCC(O)CC(C)C)cc1F
InChIInChI=1S/C14H21FN2O2/c1-8(2)4-11(18)7-17-14(19)10-5-12(15)9(3)13(16)6-10/h5-6,8,11,18H,4,7,16H2,1-3H3,(H,17,19)
InChIKeyXAFNFUWPUIPJGV-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.85
Rot. Bonds5

About 3-amino-5-fluoro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide

3-amino-5-fluoro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide (PubChem CID 107150575) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
PubChem CID107150575
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name3-amino-5-fluoro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)NCC(O)CC(C)C)cc1F
InChIInChI=1S/C14H21FN2O2/c1-8(2)4-11(18)7-17-14(19)10-5-12(15)9(3)13(16)6-10/h5-6,8,11,18H,4,7,16H2,1-3H3,(H,17,19)
InChIKeyXAFNFUWPUIPJGV-UHFFFAOYSA-N
XLogP1.85
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60861030
3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103770831
methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate
CID 54927669
3-amino-N-(1-amino-1-oxopropan-2-yl)-5-fluoro-4-methylbenzamide
CID 60860693
3-amino-5-fluoro-4-methyl-N-octylbenzamide
CID 115565945
3-amino-5-fluoro-N-hexyl-4-methylbenzamide
CID 61111175
4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 103771258
3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950307
3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide
CID 60860849
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693
2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide
CID 104955122

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide?
The IUPAC name of 3-amino-5-fluoro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide (CID 107150575) is 3-amino-5-fluoro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide?
The canonical SMILES for 3-amino-5-fluoro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide is Cc1c(N)cc(C(=O)NCC(O)CC(C)C)cc1F.
What is the InChIKey of 3-amino-5-fluoro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide?
The InChIKey is XAFNFUWPUIPJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-8(2)4-11(18)7-17-14(19)10-5-12(15)9(3)13(16)6-10/h5-6,8,11,18H,4,7,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-5-fluoro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide?
3-amino-5-fluoro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide has a molecular weight of 268.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide is sourced from PubChem (CID 107150575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).