3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide

C18H18ClFN2O2 — CID 113123846

IUPAC3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C)c1
InChIInChI=1S/C18H18ClFN2O2/c1-12-4-3-5-15(10-12)22(13(2)23)9-8-18(24)21-14-6-7-17(20)16(19)11-14/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)
InChIKeyVTUCEMKFNBSGJO-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.17
Rot. Bonds5

About 3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide

3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide (PubChem CID 113123846) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
PubChem CID113123846
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C)c1
InChIInChI=1S/C18H18ClFN2O2/c1-12-4-3-5-15(10-12)22(13(2)23)9-8-18(24)21-14-6-7-17(20)16(19)11-14/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)
InChIKeyVTUCEMKFNBSGJO-UHFFFAOYSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113132453
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123845
3-(N-acetyl-2,6-difluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113135432
3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123816
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113125917
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123651
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113129632
3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 113123875
3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113123836
3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
CID 113127279
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113132521
3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113128810

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide (CID 113123846) is 3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C)c1.
What is the InChIKey of 3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide?
The InChIKey is VTUCEMKFNBSGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-12-4-3-5-15(10-12)22(13(2)23)9-8-18(24)21-14-6-7-17(20)16(19)11-14/h3-7,10-11H,8-9H2,1-2H3,(H,21,24).
What are the key properties of 3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide?
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide has a molecular weight of 348.81 g/mol, XLogP of 4.17, 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-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 113123846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).