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

C19H20ClFN2O3 — CID 9229534

IUPAC3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C19H20ClFN2O3/c1-3-23(4-2)19(25)13-6-5-7-14(10-13)22-18(24)12-26-15-8-9-17(21)16(20)11-15/h5-11H,3-4,12H2,1-2H3,(H,22,24)
InChIKeyFNSZMWRCOYPCIC-UHFFFAOYSA-N
MW378.83 g/mol
LogP3.98
Rot. Bonds7

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

3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 9229534) has the molecular formula C19H20ClFN2O3 and a molecular weight of 378.83 g/mol. Its IUPAC name is 3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
PubChem CID9229534
Molecular FormulaC19H20ClFN2O3
Molecular Weight378.83 g/mol
Exact Mass378.11
IUPAC Name3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C19H20ClFN2O3/c1-3-23(4-2)19(25)13-6-5-7-14(10-13)22-18(24)12-26-15-8-9-17(21)16(20)11-15/h5-11H,3-4,12H2,1-2H3,(H,22,24)
InChIKeyFNSZMWRCOYPCIC-UHFFFAOYSA-N
XLogP3.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17194482
N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide
CID 78775457
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222
N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide
CID 60607023
N,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide
CID 8648051
4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide
CID 2559686
2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide
CID 170896491
3-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]-N,N-diethylbenzamide
CID 55773964
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 8808978
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 13140655
3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide
CID 26162248

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide (CID 9229534) is 3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)COc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is FNSZMWRCOYPCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3/c1-3-23(4-2)19(25)13-6-5-7-14(10-13)22-18(24)12-26-15-8-9-17(21)16(20)11-15/h5-11H,3-4,12H2,1-2H3,(H,22,24).
What are the key properties of 3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide?
3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 378.83 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 9229534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).