2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide

C19H21ClFN3O2 — CID 8780475

IUPAC2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C19H21ClFN3O2/c1-3-24(11-18(25)22-16-6-4-5-15(21)10-16)12-19(26)23-17-9-14(20)8-7-13(17)2/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMVWJRSHYAVBAON-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.69
Rot. Bonds7

About 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide

2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide (PubChem CID 8780475) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide
PubChem CID8780475
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC Name2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C19H21ClFN3O2/c1-3-24(11-18(25)22-16-6-4-5-15(21)10-16)12-19(26)23-17-9-14(20)8-7-13(17)2/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMVWJRSHYAVBAON-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-chloro-2-methylphenyl)-N-(3-fluorophenyl)oxamide
CID 108511843
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9025809
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8780400
2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide
CID 78787752
N-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 8779826
2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 16554961
N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115573461
2-(4-chloro-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 26507132
N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 131885103
2-[ethyl-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 18085874
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-fluorophenyl)acetamide
CID 78962382
N-(3-chlorophenyl)-2-(N-ethyl-3-fluoroanilino)acetamide
CID 52686374

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide (CID 8780475) is 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide is CCN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide?
The InChIKey is MVWJRSHYAVBAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/c1-3-24(11-18(25)22-16-6-4-5-15(21)10-16)12-19(26)23-17-9-14(20)8-7-13(17)2/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide?
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide has a molecular weight of 377.85 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 8780475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).