N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide

C13H19FN2O — CID 120654085

IUPACN-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide
SMILESCCN[C@H](C)CNC(=O)c1cc(C)ccc1F
InChIInChI=1S/C13H19FN2O/c1-4-15-10(3)8-16-13(17)11-7-9(2)5-6-12(11)14/h5-7,10,15H,4,8H2,1-3H3,(H,16,17)/t10-/m1/s1
InChIKeyHZSHWRLIHRUTQW-SNVBAGLBSA-N
MW238.31 g/mol
LogP1.86
Rot. Bonds5

About N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide

N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide (PubChem CID 120654085) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide
PubChem CID120654085
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide
SMILESCCN[C@H](C)CNC(=O)c1cc(C)ccc1F
InChIInChI=1S/C13H19FN2O/c1-4-15-10(3)8-16-13(17)11-7-9(2)5-6-12(11)14/h5-7,10,15H,4,8H2,1-3H3,(H,16,17)/t10-/m1/s1
InChIKeyHZSHWRLIHRUTQW-SNVBAGLBSA-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

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide
CID 120651737
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride
CID 120651308
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethylbenzamide
CID 120653289
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethylbenzamide;hydrochloride
CID 120653288
2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659559
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-fluoro-5-methylbenzamide
CID 62668199
4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
CID 120650065
N-[(2R)-2-(ethylamino)propyl]-3,5-difluorobenzamide
CID 120653813
2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654149
2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120652869
2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184
N-(2-amino-4,4-dimethylpentyl)-2-fluoro-5-methylbenzamide
CID 107158423

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide (CID 120654085) is N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide is CCN[C@H](C)CNC(=O)c1cc(C)ccc1F.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide?
The InChIKey is HZSHWRLIHRUTQW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-4-15-10(3)8-16-13(17)11-7-9(2)5-6-12(11)14/h5-7,10,15H,4,8H2,1-3H3,(H,16,17)/t10-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide?
N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide 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 N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 120654085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).