N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide

C17H15ClF2N2O4 — CID 108956907

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
SMILESCOc1cc(NC(=O)CC(=O)Nc2c(F)cccc2F)c(OC)cc1Cl
InChIInChI=1S/C17H15ClF2N2O4/c1-25-13-7-12(14(26-2)6-9(13)18)21-15(23)8-16(24)22-17-10(19)4-3-5-11(17)20/h3-7H,8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOVUKPVOCFGECMT-UHFFFAOYSA-N
MW384.77 g/mol
LogP3.60
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide

N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide (PubChem CID 108956907) has the molecular formula C17H15ClF2N2O4 and a molecular weight of 384.77 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
PubChem CID108956907
Molecular FormulaC17H15ClF2N2O4
Molecular Weight384.77 g/mol
Exact Mass384.07
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
SMILESCOc1cc(NC(=O)CC(=O)Nc2c(F)cccc2F)c(OC)cc1Cl
InChIInChI=1S/C17H15ClF2N2O4/c1-25-13-7-12(14(26-2)6-9(13)18)21-15(23)8-16(24)22-17-10(19)4-3-5-11(17)20/h3-7H,8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOVUKPVOCFGECMT-UHFFFAOYSA-N
XLogP3.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.77
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide
CID 31054802
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-fluorophenyl)propanediamide
CID 108956608
N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108955436
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954485
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955228
N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108954936
3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 113126806
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113162310
N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide
CID 2220274
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978511
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 8501524

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide (CID 108956907) is N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide is COc1cc(NC(=O)CC(=O)Nc2c(F)cccc2F)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide?
The InChIKey is OVUKPVOCFGECMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O4/c1-25-13-7-12(14(26-2)6-9(13)18)21-15(23)8-16(24)22-17-10(19)4-3-5-11(17)20/h3-7H,8H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide?
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide has a molecular weight of 384.77 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide is sourced from PubChem (CID 108956907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).