(3R)-N-(2,3-dichlorophenyl)-N'-(furan-2-ylmethyl)-3-methylpentanediamide

C17H18Cl2N2O3 — CID 7318862

IUPAC(3R)-N-(2,3-dichlorophenyl)-N'-(furan-2-ylmethyl)-3-methylpentanediamide
SMILESC[C@H](CC(=O)NCc1ccco1)CC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H18Cl2N2O3/c1-11(8-15(22)20-10-12-4-3-7-24-12)9-16(23)21-14-6-2-5-13(18)17(14)19/h2-7,11H,8-10H2,1H3,(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyJLPHZEBZXGYGFK-LLVKDONJSA-N
MW369.25 g/mol
LogP4.26
Rot. Bonds7

About (3R)-N-(2,3-dichlorophenyl)-N'-(furan-2-ylmethyl)-3-methylpentanediamide

(3R)-N-(2,3-dichlorophenyl)-N'-(furan-2-ylmethyl)-3-methylpentanediamide (PubChem CID 7318862) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is (3R)-N-(2,3-dichlorophenyl)-N'-(furan-2-ylmethyl)-3-methylpentanediamide.

Molecular Properties

Compound Name(3R)-N-(2,3-dichlorophenyl)-N'-(furan-2-ylmethyl)-3-methylpentanediamide
PubChem CID7318862
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC Name(3R)-N-(2,3-dichlorophenyl)-N'-(furan-2-ylmethyl)-3-methylpentanediamide
SMILESC[C@H](CC(=O)NCc1ccco1)CC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H18Cl2N2O3/c1-11(8-15(22)20-10-12-4-3-7-24-12)9-16(23)21-14-6-2-5-13(18)17(14)19/h2-7,11H,8-10H2,1H3,(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyJLPHZEBZXGYGFK-LLVKDONJSA-N
XLogP4.26
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-3-(furan-2-yl)propanamide
CID 51158824
1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974716
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
2-[(2,3-dichlorophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 119129007
N-(2,3-dichlorophenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918436
2-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31666412
2-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2082030
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918435
2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide
CID 103479110
3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5004523
2,3-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 18118972
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 9434241

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,3-dichlorophenyl)-N'-(furan-2-ylmethyl)-3-methylpentanediamide?
The IUPAC name of (3R)-N-(2,3-dichlorophenyl)-N'-(furan-2-ylmethyl)-3-methylpentanediamide (CID 7318862) is (3R)-N-(2,3-dichlorophenyl)-N'-(furan-2-ylmethyl)-3-methylpentanediamide.
What is the SMILES notation for (3R)-N-(2,3-dichlorophenyl)-N'-(furan-2-ylmethyl)-3-methylpentanediamide?
The canonical SMILES for (3R)-N-(2,3-dichlorophenyl)-N'-(furan-2-ylmethyl)-3-methylpentanediamide is C[C@H](CC(=O)NCc1ccco1)CC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of (3R)-N-(2,3-dichlorophenyl)-N'-(furan-2-ylmethyl)-3-methylpentanediamide?
The InChIKey is JLPHZEBZXGYGFK-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-11(8-15(22)20-10-12-4-3-7-24-12)9-16(23)21-14-6-2-5-13(18)17(14)19/h2-7,11H,8-10H2,1H3,(H,20,22)(H,21,23)/t11-/m1/s1.
What are the key properties of (3R)-N-(2,3-dichlorophenyl)-N'-(furan-2-ylmethyl)-3-methylpentanediamide?
(3R)-N-(2,3-dichlorophenyl)-N'-(furan-2-ylmethyl)-3-methylpentanediamide has a molecular weight of 369.25 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,3-dichlorophenyl)-N'-(furan-2-ylmethyl)-3-methylpentanediamide is sourced from PubChem (CID 7318862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).