N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide

C13H19FN2O — CID 82946219

IUPACN-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC(C)CN(C)C)c1
InChIInChI=1S/C13H19FN2O/c1-9-5-6-12(14)11(7-9)13(17)15-10(2)8-16(3)4/h5-7,10H,8H2,1-4H3,(H,15,17)
InChIKeyRBTGCHZUGWDKRD-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.81
Rot. Bonds4

About N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide

N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide (PubChem CID 82946219) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide
PubChem CID82946219
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC(C)CN(C)C)c1
InChIInChI=1S/C13H19FN2O/c1-9-5-6-12(14)11(7-9)13(17)15-10(2)8-16(3)4/h5-7,10H,8H2,1-4H3,(H,15,17)
InChIKeyRBTGCHZUGWDKRD-UHFFFAOYSA-N
XLogP1.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide
CID 82949591
2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 62513013
2-[1-(dimethylamino)propan-2-ylcarbamoyl]-4,5-difluorobenzoic acid
CID 82945428
N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide
CID 55260574
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide
CID 82946104
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 82945495
2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide
CID 82938061
3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 107953084
5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide
CID 125445265
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103919965
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide
CID 55082851
N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide
CID 79796022

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide (CID 82946219) is N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)NC(C)CN(C)C)c1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide?
The InChIKey is RBTGCHZUGWDKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9-5-6-12(14)11(7-9)13(17)15-10(2)8-16(3)4/h5-7,10H,8H2,1-4H3,(H,15,17).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide?
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide has a molecular weight of 238.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 82946219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).