2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide

C13H19FN2O — CID 62659559

IUPAC2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCc1ccc(F)c(C(=O)NCCNC(C)C)c1
InChIInChI=1S/C13H19FN2O/c1-9(2)15-6-7-16-13(17)11-8-10(3)4-5-12(11)14/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyFKARJGUUZBQBDV-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.86
Rot. Bonds5

About 2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide

2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 62659559) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
PubChem CID62659559
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCc1ccc(F)c(C(=O)NCCNC(C)C)c1
InChIInChI=1S/C13H19FN2O/c1-9(2)15-6-7-16-13(17)11-8-10(3)4-5-12(11)14/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyFKARJGUUZBQBDV-UHFFFAOYSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.86
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

2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184
2-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657497
N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide
CID 120654085
N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 113230363
(2S)-4-[(2-fluoro-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 114006664
4-[(2-fluoro-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832609
2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide
CID 62947552
4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid
CID 62514075
N-(2-cyclopentylethyl)-2-fluoro-5-methylbenzamide
CID 62509050
N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 62509349
N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62615072
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide (CID 62659559) is 2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide is Cc1ccc(F)c(C(=O)NCCNC(C)C)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is FKARJGUUZBQBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(2)15-6-7-16-13(17)11-8-10(3)4-5-12(11)14/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide?
2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 238.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 62659559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).