3-acetamido-3-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]propanamide

C19H18ClF2N3O3 — CID 55379526

IUPAC3-acetamido-3-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]propanamide
SMILESCC(=O)NC(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClF2N3O3/c1-11(26)24-17(12-2-4-13(20)5-3-12)9-18(27)23-10-19(28)25-14-6-7-15(21)16(22)8-14/h2-8,17H,9-10H2,1H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyJFMVZGLGNJPZOS-UHFFFAOYSA-N
MW409.82 g/mol
LogP2.94
Rot. Bonds7

About 3-acetamido-3-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]propanamide

3-acetamido-3-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]propanamide (PubChem CID 55379526) has the molecular formula C19H18ClF2N3O3 and a molecular weight of 409.82 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]propanamide
PubChem CID55379526
Molecular FormulaC19H18ClF2N3O3
Molecular Weight409.82 g/mol
Exact Mass409.10
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]propanamide
SMILESCC(=O)NC(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClF2N3O3/c1-11(26)24-17(12-2-4-13(20)5-3-12)9-18(27)23-10-19(28)25-14-6-7-15(21)16(22)8-14/h2-8,17H,9-10H2,1H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyJFMVZGLGNJPZOS-UHFFFAOYSA-N
XLogP2.94
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.82
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195190
3-acetamido-3-(4-chlorophenyl)-N-(3,5-difluorophenyl)propanamide
CID 51271181
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
CID 2665891
3-acetamido-3-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
CID 51195587
3-acetamido-3-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 51195341
3-acetamido-N-(3,5-dichlorophenyl)-3-(4-methylphenyl)propanamide
CID 55377328
3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide
CID 49169432
3-acetamido-N-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 51195326
3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195101

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]propanamide (CID 55379526) is 3-acetamido-3-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]propanamide is CC(=O)NC(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]propanamide?
The InChIKey is JFMVZGLGNJPZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N3O3/c1-11(26)24-17(12-2-4-13(20)5-3-12)9-18(27)23-10-19(28)25-14-6-7-15(21)16(22)8-14/h2-8,17H,9-10H2,1H3,(H,23,27)(H,24,26)(H,25,28).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]propanamide?
3-acetamido-3-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]propanamide has a molecular weight of 409.82 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 55379526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).