N-(3-chloro-4-fluoro-2-methylphenyl)propanamide

C10H11ClFNO — CID 159195412

IUPACN-(3-chloro-4-fluoro-2-methylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(F)c(Cl)c1C
InChIInChI=1S/C10H11ClFNO/c1-3-9(14)13-8-5-4-7(12)10(11)6(8)2/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyPSCAHYWGUJHLDM-UHFFFAOYSA-N
MW215.65 g/mol
LogP3.14
Rot. Bonds2

About N-(3-chloro-4-fluoro-2-methylphenyl)propanamide

N-(3-chloro-4-fluoro-2-methylphenyl)propanamide (PubChem CID 159195412) has the molecular formula C10H11ClFNO and a molecular weight of 215.65 g/mol. Its IUPAC name is N-(3-chloro-4-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluoro-2-methylphenyl)propanamide
PubChem CID159195412
Molecular FormulaC10H11ClFNO
Molecular Weight215.65 g/mol
Exact Mass215.05
IUPAC NameN-(3-chloro-4-fluoro-2-methylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(F)c(Cl)c1C
InChIInChI=1S/C10H11ClFNO/c1-3-9(14)13-8-5-4-7(12)10(11)6(8)2/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyPSCAHYWGUJHLDM-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.65
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(carbon dioxide);3-chloro-4-fluoro-2-methylaniline;N-(3-chloro-4-fluoro-2-methylphenyl)propanamide;phosphoryl trichloride;propanoic acid
CID 160544005
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
ethane;N-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]propanamide
CID 166140446
N-(2-chloro-3-methylphenyl)propanamide
CID 130161458
N-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide
CID 43426599
N-[2-(aminomethyl)-4-chlorophenyl]propanamide
CID 66877518
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54810419
N-(4,5-difluoro-2-methylphenyl)propanamide
CID 154643466
N-(2,4,5-trifluorophenyl)propanamide
CID 63372836
N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82820072

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluoro-2-methylphenyl)propanamide?
The IUPAC name of N-(3-chloro-4-fluoro-2-methylphenyl)propanamide (CID 159195412) is N-(3-chloro-4-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for N-(3-chloro-4-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for N-(3-chloro-4-fluoro-2-methylphenyl)propanamide is CCC(=O)Nc1ccc(F)c(Cl)c1C.
What is the InChIKey of N-(3-chloro-4-fluoro-2-methylphenyl)propanamide?
The InChIKey is PSCAHYWGUJHLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-3-9(14)13-8-5-4-7(12)10(11)6(8)2/h4-5H,3H2,1-2H3,(H,13,14).
What are the key properties of N-(3-chloro-4-fluoro-2-methylphenyl)propanamide?
N-(3-chloro-4-fluoro-2-methylphenyl)propanamide has a molecular weight of 215.65 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 159195412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).