2-chloro-N,N-diethyl-4-[3-(2-fluorophenyl)propanoylamino]benzamide

C20H22ClFN2O2 — CID 34745595

IUPAC2-chloro-N,N-diethyl-4-[3-(2-fluorophenyl)propanoylamino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CCc2ccccc2F)cc1Cl
InChIInChI=1S/C20H22ClFN2O2/c1-3-24(4-2)20(26)16-11-10-15(13-17(16)21)23-19(25)12-9-14-7-5-6-8-18(14)22/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,23,25)
InChIKeyXJDLGNMNHBBWMY-UHFFFAOYSA-N
MW376.86 g/mol
LogP4.53
Rot. Bonds7

About 2-chloro-N,N-diethyl-4-[3-(2-fluorophenyl)propanoylamino]benzamide

2-chloro-N,N-diethyl-4-[3-(2-fluorophenyl)propanoylamino]benzamide (PubChem CID 34745595) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-4-[3-(2-fluorophenyl)propanoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-4-[3-(2-fluorophenyl)propanoylamino]benzamide
PubChem CID34745595
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name2-chloro-N,N-diethyl-4-[3-(2-fluorophenyl)propanoylamino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CCc2ccccc2F)cc1Cl
InChIInChI=1S/C20H22ClFN2O2/c1-3-24(4-2)20(26)16-11-10-15(13-17(16)21)23-19(25)12-9-14-7-5-6-8-18(14)22/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,23,25)
InChIKeyXJDLGNMNHBBWMY-UHFFFAOYSA-N
XLogP4.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 110633818
2-chloro-N,N-diethyl-4-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 55673169
4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide
CID 119712519
2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 34747067
2-chloro-4-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 46436791
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride
CID 119283382
N-(2-chlorophenyl)-3-(2-fluorophenyl)propanamide
CID 9401009
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide
CID 31713224
3-(2-fluorophenyl)-N-quinoxalin-6-ylpropanamide
CID 110723729
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride
CID 119712534
2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 51135599
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39469992

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-4-[3-(2-fluorophenyl)propanoylamino]benzamide?
The IUPAC name of 2-chloro-N,N-diethyl-4-[3-(2-fluorophenyl)propanoylamino]benzamide (CID 34745595) is 2-chloro-N,N-diethyl-4-[3-(2-fluorophenyl)propanoylamino]benzamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-4-[3-(2-fluorophenyl)propanoylamino]benzamide?
The canonical SMILES for 2-chloro-N,N-diethyl-4-[3-(2-fluorophenyl)propanoylamino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)CCc2ccccc2F)cc1Cl.
What is the InChIKey of 2-chloro-N,N-diethyl-4-[3-(2-fluorophenyl)propanoylamino]benzamide?
The InChIKey is XJDLGNMNHBBWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c1-3-24(4-2)20(26)16-11-10-15(13-17(16)21)23-19(25)12-9-14-7-5-6-8-18(14)22/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,23,25).
What are the key properties of 2-chloro-N,N-diethyl-4-[3-(2-fluorophenyl)propanoylamino]benzamide?
2-chloro-N,N-diethyl-4-[3-(2-fluorophenyl)propanoylamino]benzamide has a molecular weight of 376.86 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-4-[3-(2-fluorophenyl)propanoylamino]benzamide is sourced from PubChem (CID 34745595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).