2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide

C17H17Cl2NO3 — CID 3361350

IUPAC2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1Cl)N(Cc1ccco1)CC1CCCO1
InChIInChI=1S/C17H17Cl2NO3/c18-12-5-6-15(16(19)9-12)17(21)20(10-13-3-1-7-22-13)11-14-4-2-8-23-14/h1,3,5-7,9,14H,2,4,8,10-11H2
InChIKeyVFFCCLNMNSSIHS-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.41
Rot. Bonds5

About 2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide

2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3361350) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID3361350
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1Cl)N(Cc1ccco1)CC1CCCO1
InChIInChI=1S/C17H17Cl2NO3/c18-12-5-6-15(16(19)9-12)17(21)20(10-13-3-1-7-22-13)11-14-4-2-8-23-14/h1,3,5-7,9,14H,2,4,8,10-11H2
InChIKeyVFFCCLNMNSSIHS-UHFFFAOYSA-N
XLogP4.41
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118825
3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 42773317
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 1058655
N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3682047
2-chloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118818
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636
N-(furan-2-ylmethyl)-3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide
CID 42664603
(1R,5S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97236897
3-chloro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 7351365
6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35338090
2,4-dichloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 55523141

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide (CID 3361350) is 2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide is O=C(c1ccc(Cl)cc1Cl)N(Cc1ccco1)CC1CCCO1.
What is the InChIKey of 2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is VFFCCLNMNSSIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c18-12-5-6-15(16(19)9-12)17(21)20(10-13-3-1-7-22-13)11-14-4-2-8-23-14/h1,3,5-7,9,14H,2,4,8,10-11H2.
What are the key properties of 2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 354.23 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3361350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).