3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide

C16H15Cl2FN2O2 — CID 109038796

IUPAC3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H15Cl2FN2O2/c1-23-15-5-2-10(17)8-14(15)21-16(22)6-7-20-11-3-4-13(19)12(18)9-11/h2-5,8-9,20H,6-7H2,1H3,(H,21,22)
InChIKeyLWQCYLLXZCVHDB-UHFFFAOYSA-N
MW357.21 g/mol
LogP4.58
Rot. Bonds6

About 3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide

3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide (PubChem CID 109038796) has the molecular formula C16H15Cl2FN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is 3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
PubChem CID109038796
Molecular FormulaC16H15Cl2FN2O2
Molecular Weight357.21 g/mol
Exact Mass356.05
IUPAC Name3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H15Cl2FN2O2/c1-23-15-5-2-10(17)8-14(15)21-16(22)6-7-20-11-3-4-13(19)12(18)9-11/h2-5,8-9,20H,6-7H2,1H3,(H,21,22)
InChIKeyLWQCYLLXZCVHDB-UHFFFAOYSA-N
XLogP4.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109039089
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 109038680
N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109039094
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437
N-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide
CID 71981389
3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038378
3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179
N-(2,5-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042529

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide?
The IUPAC name of 3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide (CID 109038796) is 3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide is COc1ccc(Cl)cc1NC(=O)CCNc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide?
The InChIKey is LWQCYLLXZCVHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O2/c1-23-15-5-2-10(17)8-14(15)21-16(22)6-7-20-11-3-4-13(19)12(18)9-11/h2-5,8-9,20H,6-7H2,1H3,(H,21,22).
What are the key properties of 3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide?
3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide has a molecular weight of 357.21 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 109038796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).