N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide

C19H21FN2O2 — CID 31138692

IUPACN-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)N(C)Cc2ccccc2F)c1
InChIInChI=1S/C19H21FN2O2/c1-13-8-14(2)10-16(9-13)19(24)21-11-18(23)22(3)12-15-6-4-5-7-17(15)20/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyZJYOOPPXLXPIBH-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.83
Rot. Bonds5

About N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 31138692) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID31138692
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)N(C)Cc2ccccc2F)c1
InChIInChI=1S/C19H21FN2O2/c1-13-8-14(2)10-16(9-13)19(24)21-11-18(23)22(3)12-15-6-4-5-7-17(15)20/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyZJYOOPPXLXPIBH-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 30905036
2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51192378
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 4787297
N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 27739703
3,5-dimethoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 18114048
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9156547
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 31215861
N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78914133
N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78852071
N-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 112789802
N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]-N-methylacetamide
CID 110881852
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 31138692) is N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(=O)N(C)Cc2ccccc2F)c1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is ZJYOOPPXLXPIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-8-14(2)10-16(9-13)19(24)21-11-18(23)22(3)12-15-6-4-5-7-17(15)20/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 328.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 31138692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).