3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide

C12H13ClF2N2O3 — CID 16589515

IUPAC3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
SMILESCC(=O)NCCC(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C12H13ClF2N2O3/c1-7(18)16-5-4-11(19)17-8-2-3-10(9(13)6-8)20-12(14)15/h2-3,6,12H,4-5H2,1H3,(H,16,18)(H,17,19)
InChIKeyHTYZXSCLOOZCMT-UHFFFAOYSA-N
MW306.70 g/mol
LogP2.41
Rot. Bonds6

About 3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide

3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide (PubChem CID 16589515) has the molecular formula C12H13ClF2N2O3 and a molecular weight of 306.70 g/mol. Its IUPAC name is 3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
PubChem CID16589515
Molecular FormulaC12H13ClF2N2O3
Molecular Weight306.70 g/mol
Exact Mass306.06
IUPAC Name3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
SMILESCC(=O)NCCC(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C12H13ClF2N2O3/c1-7(18)16-5-4-11(19)17-8-2-3-10(9(13)6-8)20-12(14)15/h2-3,6,12H,4-5H2,1H3,(H,16,18)(H,17,19)
InChIKeyHTYZXSCLOOZCMT-UHFFFAOYSA-N
XLogP2.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 61258739
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 78910804
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 18225712
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide
CID 51085552
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604962
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8892189
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78804386
1-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483030

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide (CID 16589515) is 3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide is CC(=O)NCCC(=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide?
The InChIKey is HTYZXSCLOOZCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2N2O3/c1-7(18)16-5-4-11(19)17-8-2-3-10(9(13)6-8)20-12(14)15/h2-3,6,12H,4-5H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide?
3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide has a molecular weight of 306.70 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 16589515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).