N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide

C17H11ClF3N3O2 — CID 108956408

IUPACN'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide
SMILESN#Cc1ccccc1NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H11ClF3N3O2/c18-12-6-5-11(17(19,20)21)7-14(12)24-16(26)8-15(25)23-13-4-2-1-3-10(13)9-22/h1-7H,8H2,(H,23,25)(H,24,26)
InChIKeySWSLPNRQPXGHAF-UHFFFAOYSA-N
MW381.74 g/mol
LogP4.20
Rot. Bonds4

About N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide

N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide (PubChem CID 108956408) has the molecular formula C17H11ClF3N3O2 and a molecular weight of 381.74 g/mol. Its IUPAC name is N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide.

Molecular Properties

Compound NameN'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide
PubChem CID108956408
Molecular FormulaC17H11ClF3N3O2
Molecular Weight381.74 g/mol
Exact Mass381.05
IUPAC NameN'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide
SMILESN#Cc1ccccc1NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H11ClF3N3O2/c18-12-6-5-11(17(19,20)21)7-14(12)24-16(26)8-15(25)23-13-4-2-1-3-10(13)9-22/h1-7H,8H2,(H,23,25)(H,24,26)
InChIKeySWSLPNRQPXGHAF-UHFFFAOYSA-N
XLogP4.20
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.74
LogP ≤ 54.20
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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide
CID 17186377
N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 26417253
N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
CID 9115538
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 2532266
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(2-cyanoacetyl)amino]urea
CID 4689522
2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 112556074
N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2467407
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
CID 17154442
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide
CID 7796207
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpropanediamide
CID 108941307

Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide?
The IUPAC name of N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide (CID 108956408) is N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide.
What is the SMILES notation for N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide?
The canonical SMILES for N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide is N#Cc1ccccc1NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide?
The InChIKey is SWSLPNRQPXGHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O2/c18-12-6-5-11(17(19,20)21)7-14(12)24-16(26)8-15(25)23-13-4-2-1-3-10(13)9-22/h1-7H,8H2,(H,23,25)(H,24,26).
What are the key properties of N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide?
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide has a molecular weight of 381.74 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide is sourced from PubChem (CID 108956408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).