4-[[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide

C21H25ClFN3O2 — CID 71874582

IUPAC4-[[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C(c2c(F)cccc2Cl)N(C)C)cc1
InChIInChI=1S/C21H25ClFN3O2/c1-5-26(6-2)21(28)14-10-12-15(13-11-14)24-20(27)19(25(3)4)18-16(22)8-7-9-17(18)23/h7-13,19H,5-6H2,1-4H3,(H,24,27)
InChIKeyIOFZSWDHJLTSCJ-UHFFFAOYSA-N
MW405.90 g/mol
LogP4.20
Rot. Bonds7

About 4-[[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide

4-[[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 71874582) has the molecular formula C21H25ClFN3O2 and a molecular weight of 405.90 g/mol. Its IUPAC name is 4-[[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
PubChem CID71874582
Molecular FormulaC21H25ClFN3O2
Molecular Weight405.90 g/mol
Exact Mass405.16
IUPAC Name4-[[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C(c2c(F)cccc2Cl)N(C)C)cc1
InChIInChI=1S/C21H25ClFN3O2/c1-5-26(6-2)21(28)14-10-12-15(13-11-14)24-20(27)19(25(3)4)18-16(22)8-7-9-17(18)23/h7-13,19H,5-6H2,1-4H3,(H,24,27)
InChIKeyIOFZSWDHJLTSCJ-UHFFFAOYSA-N
XLogP4.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.90
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-ethoxyphenyl)acetamide
CID 97101214
(2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-2-(2,6-difluorophenyl)-2-(dimethylamino)acetamide
CID 97249858
(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-methylsulfonylphenyl)acetamide
CID 97060573
(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(3-methyl-2-pyridinyl)acetamide
CID 96508184
4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 51254446
2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide
CID 26899774
N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79203975
2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 71874577
N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 7965030
4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide
CID 8503860
4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide
CID 79023506
4-[(4-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
CID 80542029

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide (CID 71874582) is 4-[[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)C(c2c(F)cccc2Cl)N(C)C)cc1.
What is the InChIKey of 4-[[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is IOFZSWDHJLTSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3O2/c1-5-26(6-2)21(28)14-10-12-15(13-11-14)24-20(27)19(25(3)4)18-16(22)8-7-9-17(18)23/h7-13,19H,5-6H2,1-4H3,(H,24,27).
What are the key properties of 4-[[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide?
4-[[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 405.90 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 71874582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).