2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide

C15H13Cl2FN2O — CID 60996580

IUPAC2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide
SMILESCC(Nc1ccccc1Cl)(C(N)=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O/c1-15(14(19)21,9-6-7-12(18)11(17)8-9)20-13-5-3-2-4-10(13)16/h2-8,20H,1H3,(H2,19,21)
InChIKeyHIJIPRGOTGQIKJ-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.95
Rot. Bonds4

About 2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide

2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide (PubChem CID 60996580) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide
PubChem CID60996580
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide
SMILESCC(Nc1ccccc1Cl)(C(N)=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O/c1-15(14(19)21,9-6-7-12(18)11(17)8-9)20-13-5-3-2-4-10(13)16/h2-8,20H,1H3,(H2,19,21)
InChIKeyHIJIPRGOTGQIKJ-UHFFFAOYSA-N
XLogP3.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloroanilino)-2-phenylpropanamide
CID 54891167
2-(2-chloroanilino)-2-(3-methoxyphenyl)propanamide
CID 60996698
2-(4-chlorophenyl)-2-(2-methylanilino)propanamide
CID 60996438
2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid
CID 60991913
2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891418
2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide
CID 54889480
methyl 2-anilino-2-(3-chloro-4-fluorophenyl)propanoate
CID 60990687
2-(2,5-dichlorophenyl)-2-(2-methylanilino)propanamide
CID 60996311
2-(2-chlorophenyl)-2-(2-methylanilino)propanamide
CID 60996305
2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide
CID 60991447
methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate
CID 60992066
2-(2-fluoroanilino)-2-(2-fluorophenyl)propanamide
CID 60991023

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide?
The IUPAC name of 2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide (CID 60996580) is 2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for 2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for 2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide is CC(Nc1ccccc1Cl)(C(N)=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide?
The InChIKey is HIJIPRGOTGQIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-15(14(19)21,9-6-7-12(18)11(17)8-9)20-13-5-3-2-4-10(13)16/h2-8,20H,1H3,(H2,19,21).
What are the key properties of 2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide?
2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide has a molecular weight of 327.19 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 60996580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).