N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide

C20H22Cl2N2O2 — CID 2166305

IUPACN,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
SMILESO=C(CCC(=O)NCCc1cccc(Cl)c1)NCCc1cccc(Cl)c1
InChIInChI=1S/C20H22Cl2N2O2/c21-17-5-1-3-15(13-17)9-11-23-19(25)7-8-20(26)24-12-10-16-4-2-6-18(22)14-16/h1-6,13-14H,7-12H2,(H,23,25)(H,24,26)
InChIKeyCONQKTLPCSJGGH-UHFFFAOYSA-N
MW393.31 g/mol
LogP3.79
Rot. Bonds9

About N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide

N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide (PubChem CID 2166305) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
PubChem CID2166305
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC NameN,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
SMILESO=C(CCC(=O)NCCc1cccc(Cl)c1)NCCc1cccc(Cl)c1
InChIInChI=1S/C20H22Cl2N2O2/c21-17-5-1-3-15(13-17)9-11-23-19(25)7-8-20(26)24-12-10-16-4-2-6-18(22)14-16/h1-6,13-14H,7-12H2,(H,23,25)(H,24,26)
InChIKeyCONQKTLPCSJGGH-UHFFFAOYSA-N
XLogP3.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
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6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
N-[2-(3-chlorophenyl)ethyl]-3-cyanopropanamide
CID 94686976
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
CID 113098409
2-(3-chlorophenyl)ethylurea
CID 127513466
3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 32816816
N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide
CID 109033211
4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27838626
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CID 109006882

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide?
The IUPAC name of N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide (CID 2166305) is N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide.
What is the SMILES notation for N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide?
The canonical SMILES for N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide is O=C(CCC(=O)NCCc1cccc(Cl)c1)NCCc1cccc(Cl)c1.
What is the InChIKey of N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide?
The InChIKey is CONQKTLPCSJGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c21-17-5-1-3-15(13-17)9-11-23-19(25)7-8-20(26)24-12-10-16-4-2-6-18(22)14-16/h1-6,13-14H,7-12H2,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide?
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide has a molecular weight of 393.31 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide is sourced from PubChem (CID 2166305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).