N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)butanediamide

C16H17ClN2O3 — CID 864667

IUPACN'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)butanediamide
SMILESCc1ccc(Cl)cc1NC(=O)CCC(=O)NCc1ccco1
InChIInChI=1S/C16H17ClN2O3/c1-11-4-5-12(17)9-14(11)19-16(21)7-6-15(20)18-10-13-3-2-8-22-13/h2-5,8-9H,6-7,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyGPKJZKFTQZAYOF-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.28
Rot. Bonds6

About N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)butanediamide

N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)butanediamide (PubChem CID 864667) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)butanediamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)butanediamide
PubChem CID864667
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)butanediamide
SMILESCc1ccc(Cl)cc1NC(=O)CCC(=O)NCc1ccco1
InChIInChI=1S/C16H17ClN2O3/c1-11-4-5-12(17)9-14(11)19-16(21)7-6-15(20)18-10-13-3-2-8-22-13/h2-5,8-9H,6-7,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyGPKJZKFTQZAYOF-UHFFFAOYSA-N
XLogP3.28
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ML348
CID 3238952
N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 764191
4-chloro-N-(furan-2-ylmethyl)-2-nitrobenzamide
CID 676074
N-[4-chloro-2-(1-piperidinylcarbonyl)phenyl]-2-furamide
CID 891930
N-{2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}furan-2-carboxamide
CID 1252875
N-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}furan-2-carboxamide
CID 2236865
N-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide
CID 2444301
N-[3-(3-chloro-4-cyanoanilino)-3-oxopropyl]furan-2-carboxamide
CID 2455905
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]furan-2-carboxamide
CID 2516825
1-(furan-2-ylmethyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2815709
1-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 4794237
4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide
CID 4857924

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)butanediamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)butanediamide (CID 864667) is N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)butanediamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)butanediamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)butanediamide is Cc1ccc(Cl)cc1NC(=O)CCC(=O)NCc1ccco1.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)butanediamide?
The InChIKey is GPKJZKFTQZAYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-11-4-5-12(17)9-14(11)19-16(21)7-6-15(20)18-10-13-3-2-8-22-13/h2-5,8-9H,6-7,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)butanediamide?
N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)butanediamide has a molecular weight of 320.78 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)butanediamide is sourced from PubChem (CID 864667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).