N-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide

C16H20Cl2N2O2 — CID 108951648

IUPACN-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide
SMILESO=C(CC(=O)NC1CCCCCC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H20Cl2N2O2/c17-11-7-12(18)9-14(8-11)20-16(22)10-15(21)19-13-5-3-1-2-4-6-13/h7-9,13H,1-6,10H2,(H,19,21)(H,20,22)
InChIKeyWGJDDSLFWYOQEF-UHFFFAOYSA-N
MW343.25 g/mol
LogP4.16
Rot. Bonds4

About N-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide

N-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide (PubChem CID 108951648) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is N-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide
PubChem CID108951648
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC NameN-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide
SMILESO=C(CC(=O)NC1CCCCCC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H20Cl2N2O2/c17-11-7-12(18)9-14(8-11)20-16(22)10-15(21)19-13-5-3-1-2-4-6-13/h7-9,13H,1-6,10H2,(H,19,21)(H,20,22)
InChIKeyWGJDDSLFWYOQEF-UHFFFAOYSA-N
XLogP4.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 54.16
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-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605
3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide
CID 109031654
N-cyclohexyl-3-(3,5-dichloroanilino)propanamide
CID 109014092
N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide
CID 108951589
N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide
CID 108942612
N'-(3-chloro-4-methoxyphenyl)-N-cycloheptylpropanediamide
CID 108951592
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N'-(2-chlorophenyl)-N-cyclopentylpropanediamide
CID 108942228
N'-(4-bromophenyl)-N-cyclopentylpropanediamide
CID 108942239
N-cycloheptyl-N'-(4-ethylphenyl)propanediamide
CID 108951571
1-(3-chloro-5-methylphenyl)-3-cyclohexylurea
CID 143846785
2-(cyclopropylamino)-N-(3,5-dichlorophenyl)acetamide
CID 60647336

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide?
The IUPAC name of N-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide (CID 108951648) is N-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide.
What is the SMILES notation for N-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide?
The canonical SMILES for N-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide is O=C(CC(=O)NC1CCCCCC1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide?
The InChIKey is WGJDDSLFWYOQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c17-11-7-12(18)9-14(8-11)20-16(22)10-15(21)19-13-5-3-1-2-4-6-13/h7-9,13H,1-6,10H2,(H,19,21)(H,20,22).
What are the key properties of N-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide?
N-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide has a molecular weight of 343.25 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide is sourced from PubChem (CID 108951648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).