4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide

C15H17ClN2O2 — CID 62345627

IUPAC4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide
SMILESCCc1ccc(CNc2cc(C(=O)NC)ccc2Cl)o1
InChIInChI=1S/C15H17ClN2O2/c1-3-11-5-6-12(20-11)9-18-14-8-10(15(19)17-2)4-7-13(14)16/h4-8,18H,3,9H2,1-2H3,(H,17,19)
InChIKeySLCCPPRUPPSCCB-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.47
Rot. Bonds5

About 4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide

4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide (PubChem CID 62345627) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide
PubChem CID62345627
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide
SMILESCCc1ccc(CNc2cc(C(=O)NC)ccc2Cl)o1
InChIInChI=1S/C15H17ClN2O2/c1-3-11-5-6-12(20-11)9-18-14-8-10(15(19)17-2)4-7-13(14)16/h4-8,18H,3,9H2,1-2H3,(H,17,19)
InChIKeySLCCPPRUPPSCCB-UHFFFAOYSA-N
XLogP3.47
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide
CID 43786064
4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide
CID 43720994
4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
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4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
CID 79419893
3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide
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4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide
CID 43720990
4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 81147765
3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide
CID 79796922
4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide
CID 63646037
4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide
CID 43740112
4-chloro-N-methyl-3-[(5-methyloxolan-2-yl)methylamino]benzamide
CID 82834816
3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide
CID 62345277

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide?
The IUPAC name of 4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide (CID 62345627) is 4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide?
The canonical SMILES for 4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide is CCc1ccc(CNc2cc(C(=O)NC)ccc2Cl)o1.
What is the InChIKey of 4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide?
The InChIKey is SLCCPPRUPPSCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-11-5-6-12(20-11)9-18-14-8-10(15(19)17-2)4-7-13(14)16/h4-8,18H,3,9H2,1-2H3,(H,17,19).
What are the key properties of 4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide?
4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide has a molecular weight of 292.77 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 62345627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).