N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide

C16H11Cl2F3N2O2 — CID 108954992

IUPACN-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide
SMILESO=C(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Nc1cccc(Cl)c1
InChIInChI=1S/C16H11Cl2F3N2O2/c17-9-2-1-3-11(6-9)22-14(24)8-15(25)23-13-5-4-10(18)7-12(13)16(19,20)21/h1-7H,8H2,(H,22,24)(H,23,25)
InChIKeyLHBTTZPUFDLLGP-UHFFFAOYSA-N
MW391.18 g/mol
LogP4.98
Rot. Bonds4

About N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide

N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108954992) has the molecular formula C16H11Cl2F3N2O2 and a molecular weight of 391.18 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide
PubChem CID108954992
Molecular FormulaC16H11Cl2F3N2O2
Molecular Weight391.18 g/mol
Exact Mass390.01
IUPAC NameN-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide
SMILESO=C(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Nc1cccc(Cl)c1
InChIInChI=1S/C16H11Cl2F3N2O2/c17-9-2-1-3-11(6-9)22-14(24)8-15(25)23-13-5-4-10(18)7-12(13)16(19,20)21/h1-7H,8H2,(H,22,24)(H,23,25)
InChIKeyLHBTTZPUFDLLGP-UHFFFAOYSA-N
XLogP4.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.18
LogP ≤ 54.98
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'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide
CID 108956825
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
CID 109010763
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-fluoroanilino)propanamide
CID 109042072
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide
CID 109034313
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915256
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,5-difluoroanilino)acetamide
CID 35823651
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 26437919
2-(4-chlorophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 1352117
N-[3-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 18904197

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide (CID 108954992) is N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide is O=C(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is LHBTTZPUFDLLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F3N2O2/c17-9-2-1-3-11(6-9)22-14(24)8-15(25)23-13-5-4-10(18)7-12(13)16(19,20)21/h1-7H,8H2,(H,22,24)(H,23,25).
What are the key properties of N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide?
N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 391.18 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108954992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).