3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide

C24H23FN2O2 — CID 46410054

IUPAC3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H23FN2O2/c1-3-27(16-18-8-7-11-21(25)14-18)24(29)20-13-12-17(2)22(15-20)26-23(28)19-9-5-4-6-10-19/h4-15H,3,16H2,1-2H3,(H,26,28)
InChIKeyDYAFTFKNMQHIGH-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.05
Rot. Bonds6

About 3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide

3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide (PubChem CID 46410054) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide
PubChem CID46410054
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H23FN2O2/c1-3-27(16-18-8-7-11-21(25)14-18)24(29)20-13-12-17(2)22(15-20)26-23(28)19-9-5-4-6-10-19/h4-15H,3,16H2,1-2H3,(H,26,28)
InChIKeyDYAFTFKNMQHIGH-UHFFFAOYSA-N
XLogP5.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzamido-4-methyl-N,N-dipropylbenzamide
CID 17226384
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 61138218
5-N-benzyl-3-N-(2,5-dimethylphenyl)-5-N-ethylpyridine-3,5-dicarboxamide
CID 109105863
N-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
CID 17403869
3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718
4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 81294804
3-benzamido-N,4-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 46409799
3-benzamido-N-(cyanomethyl)-4-methyl-N-propylbenzamide
CID 52729740
3-N-benzyl-1-N-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide
CID 109054951
3-benzamido-N-cyclopentyl-N-ethyl-4-methylbenzamide
CID 55632308

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide?
The IUPAC name of 3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide (CID 46410054) is 3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide is CCN(Cc1cccc(F)c1)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide?
The InChIKey is DYAFTFKNMQHIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-3-27(16-18-8-7-11-21(25)14-18)24(29)20-13-12-17(2)22(15-20)26-23(28)19-9-5-4-6-10-19/h4-15H,3,16H2,1-2H3,(H,26,28).
What are the key properties of 3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide?
3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide has a molecular weight of 390.46 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 46410054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).