2-(2-chloro-5-fluoroanilino)-N-methylpropanamide

C10H12ClFN2O — CID 107528161

IUPAC2-(2-chloro-5-fluoroanilino)-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1cc(F)ccc1Cl
InChIInChI=1S/C10H12ClFN2O/c1-6(10(15)13-2)14-9-5-7(12)3-4-8(9)11/h3-6,14H,1-2H3,(H,13,15)
InChIKeyFALDVFFQNQPFBJ-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.03
Rot. Bonds3

About 2-(2-chloro-5-fluoroanilino)-N-methylpropanamide

2-(2-chloro-5-fluoroanilino)-N-methylpropanamide (PubChem CID 107528161) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoroanilino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-chloro-5-fluoroanilino)-N-methylpropanamide
PubChem CID107528161
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name2-(2-chloro-5-fluoroanilino)-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1cc(F)ccc1Cl
InChIInChI=1S/C10H12ClFN2O/c1-6(10(15)13-2)14-9-5-7(12)3-4-8(9)11/h3-6,14H,1-2H3,(H,13,15)
InChIKeyFALDVFFQNQPFBJ-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 107528257
2-(2-chloro-5-fluoroanilino)-N-prop-2-enylpropanamide
CID 107528240
N-methyl-2-(2,4,5-trichloroanilino)propanamide
CID 43116604
2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide
CID 102615565
2-(2,4-dichloroanilino)-N-methylpropanamide
CID 18321698
2-(2-chloro-4-methylanilino)-N-methylpropanamide
CID 43085457
N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 51167752
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235
2-(5-chloro-2,4-dimethoxyanilino)-N-methylpropanamide
CID 43085511
2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide
CID 43084871
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide
CID 107634761
(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7928544

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoroanilino)-N-methylpropanamide?
The IUPAC name of 2-(2-chloro-5-fluoroanilino)-N-methylpropanamide (CID 107528161) is 2-(2-chloro-5-fluoroanilino)-N-methylpropanamide.
What is the SMILES notation for 2-(2-chloro-5-fluoroanilino)-N-methylpropanamide?
The canonical SMILES for 2-(2-chloro-5-fluoroanilino)-N-methylpropanamide is CNC(=O)C(C)Nc1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluoroanilino)-N-methylpropanamide?
The InChIKey is FALDVFFQNQPFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-6(10(15)13-2)14-9-5-7(12)3-4-8(9)11/h3-6,14H,1-2H3,(H,13,15).
What are the key properties of 2-(2-chloro-5-fluoroanilino)-N-methylpropanamide?
2-(2-chloro-5-fluoroanilino)-N-methylpropanamide has a molecular weight of 230.67 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoroanilino)-N-methylpropanamide is sourced from PubChem (CID 107528161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).