N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide

C18H16ClF3N2O2 — CID 108945653

IUPACN'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide
SMILESCc1cccc(CNC(=O)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C18H16ClF3N2O2/c1-11-3-2-4-12(7-11)10-23-16(25)9-17(26)24-15-8-13(18(20,21)22)5-6-14(15)19/h2-8H,9-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyULZUHJBUMXEBSL-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.31
Rot. Bonds5

About N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide

N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide (PubChem CID 108945653) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide
PubChem CID108945653
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC NameN'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide
SMILESCc1cccc(CNC(=O)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C18H16ClF3N2O2/c1-11-3-2-4-12(7-11)10-23-16(25)9-17(26)24-15-8-13(18(20,21)22)5-6-14(15)19/h2-8H,9-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyULZUHJBUMXEBSL-UHFFFAOYSA-N
XLogP4.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-4-ylmethyl)propanediamide
CID 108947865
N-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108945642
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822825
2-chloro-N-[(3-methylphenyl)methyl]-5-(trifluoromethyl)aniline
CID 28542855
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113161698
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 747189
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethylphenyl)acetamide
CID 100630513
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 113000074
N'-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945616
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylbutyl)propanediamide
CID 108951833
N'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945602
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 113000083

Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide?
The IUPAC name of N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide (CID 108945653) is N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide?
The canonical SMILES for N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide is Cc1cccc(CNC(=O)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1.
What is the InChIKey of N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide?
The InChIKey is ULZUHJBUMXEBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c1-11-3-2-4-12(7-11)10-23-16(25)9-17(26)24-15-8-13(18(20,21)22)5-6-14(15)19/h2-8H,9-10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide?
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide has a molecular weight of 384.79 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108945653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).