N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-fluoro-4-methylbenzamide

C19H23FN2O — CID 56758673

IUPACN-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(c2ccccc2C)N(C)C)c(F)c1
InChIInChI=1S/C19H23FN2O/c1-13-9-10-16(17(20)11-13)19(23)21-12-18(22(3)4)15-8-6-5-7-14(15)2/h5-11,18H,12H2,1-4H3,(H,21,23)
InChIKeyJCQXYEVPVJACHD-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.48
Rot. Bonds5

About N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-fluoro-4-methylbenzamide

N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-fluoro-4-methylbenzamide (PubChem CID 56758673) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-fluoro-4-methylbenzamide
PubChem CID56758673
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC NameN-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(c2ccccc2C)N(C)C)c(F)c1
InChIInChI=1S/C19H23FN2O/c1-13-9-10-16(17(20)11-13)19(23)21-12-18(22(3)4)15-8-6-5-7-14(15)2/h5-11,18H,12H2,1-4H3,(H,21,23)
InChIKeyJCQXYEVPVJACHD-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide
CID 114296047
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-fluoro-4-methylbenzamide
CID 111791703
2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 79770895
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-dimethylbenzamide
CID 25480231
N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 97124759
N-(3-chloro-2-methylpropyl)-2-fluoro-4-methylbenzamide
CID 114302822
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
CID 79791419
N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-4,4,4-trifluorobutanamide
CID 125437973
N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-4,4,4-trifluorobutanamide
CID 122559642
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985226
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
CID 113251010

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-fluoro-4-methylbenzamide (CID 56758673) is N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCC(c2ccccc2C)N(C)C)c(F)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-fluoro-4-methylbenzamide?
The InChIKey is JCQXYEVPVJACHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-13-9-10-16(17(20)11-13)19(23)21-12-18(22(3)4)15-8-6-5-7-14(15)2/h5-11,18H,12H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-fluoro-4-methylbenzamide?
N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-fluoro-4-methylbenzamide has a molecular weight of 314.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 56758673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).