2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide

C15H16ClNO3 — CID 39402827

IUPAC2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CN(Cc1ccco1)C(=O)CCl
InChIInChI=1S/C15H16ClNO3/c1-19-14-7-3-2-5-12(14)10-17(15(18)9-16)11-13-6-4-8-20-13/h2-8H,9-11H2,1H3
InChIKeyHCSMOBYGOCIXCN-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.06
Rot. Bonds6

About 2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide

2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 39402827) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID39402827
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CN(Cc1ccco1)C(=O)CCl
InChIInChI=1S/C15H16ClNO3/c1-19-14-7-3-2-5-12(14)10-17(15(18)9-16)11-13-6-4-8-20-13/h2-8H,9-11H2,1H3
InChIKeyHCSMOBYGOCIXCN-UHFFFAOYSA-N
XLogP3.06
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 78828421
2-chloro-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 166415332
4-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]sulfinamoyl]benzoic acid
CID 143767348
N,N-bis(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 52548109
N-benzyl-2-[(2-chloroacetyl)-(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4518262
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090197
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2,6-dimethoxy-N-propan-2-ylbenzamide
CID 4574120
N-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide
CID 42704323
3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54875800
2-chloro-N-(3,3-difluoro-2,2-dimethylpentyl)-N-(furan-2-ylmethyl)acetamide
CID 167884453
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]hexanamide
CID 60592362
N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113053908

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 39402827) is 2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CN(Cc1ccco1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is HCSMOBYGOCIXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-19-14-7-3-2-5-12(14)10-17(15(18)9-16)11-13-6-4-8-20-13/h2-8H,9-11H2,1H3.
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 293.75 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 39402827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).