N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide

C17H14ClF3N2O3 — CID 108955403

IUPACN'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C17H14ClF3N2O3/c1-26-14-7-6-12(8-13(14)18)23-16(25)9-15(24)22-11-4-2-10(3-5-11)17(19,20)21/h2-8H,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyRWBYQHGRUSHWJK-UHFFFAOYSA-N
MW386.76 g/mol
LogP4.33
Rot. Bonds5

About N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide

N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108955403) has the molecular formula C17H14ClF3N2O3 and a molecular weight of 386.76 g/mol. Its IUPAC name is N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
PubChem CID108955403
Molecular FormulaC17H14ClF3N2O3
Molecular Weight386.76 g/mol
Exact Mass386.06
IUPAC NameN'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C17H14ClF3N2O3/c1-26-14-7-6-12(8-13(14)18)23-16(25)9-15(24)22-11-4-2-10(3-5-11)17(19,20)21/h2-8H,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyRWBYQHGRUSHWJK-UHFFFAOYSA-N
XLogP4.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 9221573
N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7934876
2-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 15907736
N'-(3-chloro-4-methoxyphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955433
1-(3-chloro-4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2632843
N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108955436
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 92645661
2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109008828
N-(3-chloro-4-methoxyphenyl)-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 109008853
N-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 7697213
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide (CID 108955403) is N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide is COc1ccc(NC(=O)CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is RWBYQHGRUSHWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O3/c1-26-14-7-6-12(8-13(14)18)23-16(25)9-15(24)22-11-4-2-10(3-5-11)17(19,20)21/h2-8H,9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide?
N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 386.76 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108955403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).