N,N'-bis(3-chloro-2-methylphenyl)butanediamide

C18H18Cl2N2O2 — CID 1226548

IUPACN,N'-bis(3-chloro-2-methylphenyl)butanediamide
SMILESCc1c(Cl)cccc1NC(=O)CCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C18H18Cl2N2O2/c1-11-13(19)5-3-7-15(11)21-17(23)9-10-18(24)22-16-8-4-6-14(20)12(16)2/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyALTJGQIEXHPHNF-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.97
Rot. Bonds5

About N,N'-bis(3-chloro-2-methylphenyl)butanediamide

N,N'-bis(3-chloro-2-methylphenyl)butanediamide (PubChem CID 1226548) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N,N'-bis(3-chloro-2-methylphenyl)butanediamide.

Molecular Properties

Compound NameN,N'-bis(3-chloro-2-methylphenyl)butanediamide
PubChem CID1226548
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN,N'-bis(3-chloro-2-methylphenyl)butanediamide
SMILESCc1c(Cl)cccc1NC(=O)CCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C18H18Cl2N2O2/c1-11-13(19)5-3-7-15(11)21-17(23)9-10-18(24)22-16-8-4-6-14(20)12(16)2/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyALTJGQIEXHPHNF-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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Related Compounds

N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
3-[3-(3-chloro-2-methylanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-2-methylphenyl)propanamide
CID 2168392
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54791904
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028
4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3511916
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037795

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-chloro-2-methylphenyl)butanediamide?
The IUPAC name of N,N'-bis(3-chloro-2-methylphenyl)butanediamide (CID 1226548) is N,N'-bis(3-chloro-2-methylphenyl)butanediamide.
What is the SMILES notation for N,N'-bis(3-chloro-2-methylphenyl)butanediamide?
The canonical SMILES for N,N'-bis(3-chloro-2-methylphenyl)butanediamide is Cc1c(Cl)cccc1NC(=O)CCC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N,N'-bis(3-chloro-2-methylphenyl)butanediamide?
The InChIKey is ALTJGQIEXHPHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-11-13(19)5-3-7-15(11)21-17(23)9-10-18(24)22-16-8-4-6-14(20)12(16)2/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis(3-chloro-2-methylphenyl)butanediamide?
N,N'-bis(3-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(3-chloro-2-methylphenyl)butanediamide is sourced from PubChem (CID 1226548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).