N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide

C18H17ClFN3O3 — CID 9409680

IUPACN-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C18H17ClFN3O3/c1-23(11-16(24)22-15-9-5-3-7-13(15)19)17(25)10-21-18(26)12-6-2-4-8-14(12)20/h2-9H,10-11H2,1H3,(H,21,26)(H,22,24)
InChIKeyMZKHRNZQSCDROC-UHFFFAOYSA-N
MW377.80 g/mol
LogP2.31
Rot. Bonds6

About N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide

N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 9409680) has the molecular formula C18H17ClFN3O3 and a molecular weight of 377.80 g/mol. Its IUPAC name is N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide
PubChem CID9409680
Molecular FormulaC18H17ClFN3O3
Molecular Weight377.80 g/mol
Exact Mass377.09
IUPAC NameN-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C18H17ClFN3O3/c1-23(11-16(24)22-15-9-5-3-7-13(15)19)17(25)10-21-18(26)12-6-2-4-8-14(12)20/h2-9H,10-11H2,1H3,(H,21,26)(H,22,24)
InChIKeyMZKHRNZQSCDROC-UHFFFAOYSA-N
XLogP2.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 38660284
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 30055689
N-(2-chlorophenyl)-2-[[2-(2-fluorophenoxy)acetyl]-methylamino]acetamide
CID 7434026
2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37229214
(E)-N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9409762
2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 31182281
2,4-dichloro-N-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 27808106
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 7783318
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide
CID 26505954
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylacetamide
CID 9306428
2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 134063159

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide (CID 9409680) is N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is MZKHRNZQSCDROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O3/c1-23(11-16(24)22-15-9-5-3-7-13(15)19)17(25)10-21-18(26)12-6-2-4-8-14(12)20/h2-9H,10-11H2,1H3,(H,21,26)(H,22,24).
What are the key properties of N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 377.80 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 9409680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).