N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-fluorophenyl)acetamide

C18H18ClFN2O3 — CID 113001609

IUPACN-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-fluorophenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CNC(=O)Cc1ccccc1F
InChIInChI=1S/C18H18ClFN2O3/c1-11-7-15(16(25-2)9-13(11)19)22-18(24)10-21-17(23)8-12-5-3-4-6-14(12)20/h3-7,9H,8,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDPOANRUJSHUQMK-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.09
Rot. Bonds6

About N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-fluorophenyl)acetamide

N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-fluorophenyl)acetamide (PubChem CID 113001609) has the molecular formula C18H18ClFN2O3 and a molecular weight of 364.80 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-fluorophenyl)acetamide
PubChem CID113001609
Molecular FormulaC18H18ClFN2O3
Molecular Weight364.80 g/mol
Exact Mass364.10
IUPAC NameN-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-fluorophenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CNC(=O)Cc1ccccc1F
InChIInChI=1S/C18H18ClFN2O3/c1-11-7-15(16(25-2)9-13(11)19)22-18(24)10-21-17(23)8-12-5-3-4-6-14(12)20/h3-7,9H,8,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDPOANRUJSHUQMK-UHFFFAOYSA-N
XLogP3.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020992
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900136
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113162311
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide
CID 113001589
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 113001595
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109011257
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 113001558
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
2-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113170889
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777195

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-fluorophenyl)acetamide (CID 113001609) is N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-fluorophenyl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)CNC(=O)Cc1ccccc1F.
What is the InChIKey of N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is DPOANRUJSHUQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3/c1-11-7-15(16(25-2)9-13(11)19)22-18(24)10-21-17(23)8-12-5-3-4-6-14(12)20/h3-7,9H,8,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-fluorophenyl)acetamide?
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 364.80 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113001609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).