N,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide

C21H26FN3O2 — CID 87009194

IUPACN,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)N(C)C(C)c2ccccc2F)c1
InChIInChI=1S/C21H26FN3O2/c1-5-25(6-2)20(26)16-10-9-11-17(14-16)23-21(27)24(4)15(3)18-12-7-8-13-19(18)22/h7-15H,5-6H2,1-4H3,(H,23,27)
InChIKeySVSBTJJOBUZFDH-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.53
Rot. Bonds6

About N,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide

N,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide (PubChem CID 87009194) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide
PubChem CID87009194
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)N(C)C(C)c2ccccc2F)c1
InChIInChI=1S/C21H26FN3O2/c1-5-25(6-2)20(26)16-10-9-11-17(14-16)23-21(27)24(4)15(3)18-12-7-8-13-19(18)22/h7-15H,5-6H2,1-4H3,(H,23,27)
InChIKeySVSBTJJOBUZFDH-UHFFFAOYSA-N
XLogP4.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea
CID 87010594
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide
CID 26712476
2-[3-(diethylcarbamoyl)anilino]propanoic acid
CID 66174088
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913546
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
N-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide
CID 26162428
N,N-diethyl-3-[(2-hydroxy-2-phenylacetyl)amino]benzamide
CID 111432146
N-[3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide
CID 55817029
ethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate
CID 71853615

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide (CID 87009194) is N,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)N(C)C(C)c2ccccc2F)c1.
What is the InChIKey of N,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide?
The InChIKey is SVSBTJJOBUZFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-5-25(6-2)20(26)16-10-9-11-17(14-16)23-21(27)24(4)15(3)18-12-7-8-13-19(18)22/h7-15H,5-6H2,1-4H3,(H,23,27).
What are the key properties of N,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide?
N,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide has a molecular weight of 371.46 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide is sourced from PubChem (CID 87009194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).