3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide

C18H17ClF2N2O2 — CID 113127656

IUPAC3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)c1cccc(Cl)c1C
InChIInChI=1S/C18H17ClF2N2O2/c1-11-14(19)4-3-5-17(11)23(12(2)24)9-8-18(25)22-13-6-7-15(20)16(21)10-13/h3-7,10H,8-9H2,1-2H3,(H,22,25)
InChIKeyXIZNIXZJBRXAME-UHFFFAOYSA-N
MW366.80 g/mol
LogP4.31
Rot. Bonds5

About 3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide

3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide (PubChem CID 113127656) has the molecular formula C18H17ClF2N2O2 and a molecular weight of 366.80 g/mol. Its IUPAC name is 3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide
PubChem CID113127656
Molecular FormulaC18H17ClF2N2O2
Molecular Weight366.80 g/mol
Exact Mass366.09
IUPAC Name3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)c1cccc(Cl)c1C
InChIInChI=1S/C18H17ClF2N2O2/c1-11-14(19)4-3-5-17(11)23(12(2)24)9-8-18(25)22-13-6-7-15(20)16(21)10-13/h3-7,10H,8-9H2,1-2H3,(H,22,25)
InChIKeyXIZNIXZJBRXAME-UHFFFAOYSA-N
XLogP4.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 113125150
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113171824
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-fluorophenyl)propanamide
CID 113127603
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113127582
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127609
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123651
3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127507
3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113133551
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123650
3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113127759
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113132521
3-(N-acetyl-2,6-difluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113135432

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide (CID 113127656) is 3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)c1cccc(Cl)c1C.
What is the InChIKey of 3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide?
The InChIKey is XIZNIXZJBRXAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O2/c1-11-14(19)4-3-5-17(11)23(12(2)24)9-8-18(25)22-13-6-7-15(20)16(21)10-13/h3-7,10H,8-9H2,1-2H3,(H,22,25).
What are the key properties of 3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide?
3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide has a molecular weight of 366.80 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 113127656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).