N,N'-bis(5-chloro-2-methylphenyl)butanediamide

C18H18Cl2N2O2 — CID 1010578

IUPACN,N'-bis(5-chloro-2-methylphenyl)butanediamide
SMILESCc1ccc(Cl)cc1NC(=O)CCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C18H18Cl2N2O2/c1-11-3-5-13(19)9-15(11)21-17(23)7-8-18(24)22-16-10-14(20)6-4-12(16)2/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGNEGOXDKOUMPJX-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.97
Rot. Bonds5

About N,N'-bis(5-chloro-2-methylphenyl)butanediamide

N,N'-bis(5-chloro-2-methylphenyl)butanediamide (PubChem CID 1010578) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N,N'-bis(5-chloro-2-methylphenyl)butanediamide.

Molecular Properties

Compound NameN,N'-bis(5-chloro-2-methylphenyl)butanediamide
PubChem CID1010578
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN,N'-bis(5-chloro-2-methylphenyl)butanediamide
SMILESCc1ccc(Cl)cc1NC(=O)CCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C18H18Cl2N2O2/c1-11-3-5-13(19)9-15(11)21-17(23)7-8-18(24)22-16-10-14(20)6-4-12(16)2/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGNEGOXDKOUMPJX-UHFFFAOYSA-N
XLogP4.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(5-chloro-2-methylphenyl)butanediamide?
The IUPAC name of N,N'-bis(5-chloro-2-methylphenyl)butanediamide (CID 1010578) is N,N'-bis(5-chloro-2-methylphenyl)butanediamide.
What is the SMILES notation for N,N'-bis(5-chloro-2-methylphenyl)butanediamide?
The canonical SMILES for N,N'-bis(5-chloro-2-methylphenyl)butanediamide is Cc1ccc(Cl)cc1NC(=O)CCC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N,N'-bis(5-chloro-2-methylphenyl)butanediamide?
The InChIKey is GNEGOXDKOUMPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-11-3-5-13(19)9-15(11)21-17(23)7-8-18(24)22-16-10-14(20)6-4-12(16)2/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis(5-chloro-2-methylphenyl)butanediamide?
N,N'-bis(5-chloro-2-methylphenyl)butanediamide has a molecular weight of 365.26 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5-chloro-2-methylphenyl)butanediamide is sourced from PubChem (CID 1010578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).