4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide

C19H21ClFN3O2 — CID 51254446

IUPAC4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2cccc(Cl)c2F)cc1
InChIInChI=1S/C19H21ClFN3O2/c1-3-24(4-2)19(26)13-8-10-14(11-9-13)23-17(25)12-22-16-7-5-6-15(20)18(16)21/h5-11,22H,3-4,12H2,1-2H3,(H,23,25)
InChIKeyWVZWUQGTVXZTRH-UHFFFAOYSA-N
MW377.85 g/mol
LogP4.01
Rot. Bonds7

About 4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide

4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 51254446) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is 4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
PubChem CID51254446
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC Name4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2cccc(Cl)c2F)cc1
InChIInChI=1S/C19H21ClFN3O2/c1-3-24(4-2)19(26)13-8-10-14(11-9-13)23-17(25)12-22-16-7-5-6-15(20)18(16)21/h5-11,22H,3-4,12H2,1-2H3,(H,23,25)
InChIKeyWVZWUQGTVXZTRH-UHFFFAOYSA-N
XLogP4.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-fluoroanilino)-N-phenylacetamide
CID 42070736
4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54815933
4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 26507410
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 30706648
4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
CID 26531357
2-(3-chloro-2-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43408733
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide
CID 54832867
N,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide
CID 42068550
N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
CID 54812461
4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834198
N,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54826939
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide (CID 51254446) is 4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)CNc2cccc(Cl)c2F)cc1.
What is the InChIKey of 4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is WVZWUQGTVXZTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/c1-3-24(4-2)19(26)13-8-10-14(11-9-13)23-17(25)12-22-16-7-5-6-15(20)18(16)21/h5-11,22H,3-4,12H2,1-2H3,(H,23,25).
What are the key properties of 4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide?
4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 377.85 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 51254446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).