2-chloro-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide

C13H14ClNO3 — CID 166415332

IUPAC2-chloro-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(Cc2ccco2)C(=O)CCl)o1
InChIInChI=1S/C13H14ClNO3/c1-10-4-5-12(18-10)9-15(13(16)7-14)8-11-3-2-6-17-11/h2-6H,7-9H2,1H3
InChIKeyGMGWOUKHEBIXAC-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.95
Rot. Bonds5

About 2-chloro-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide

2-chloro-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 166415332) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID166415332
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(Cc2ccco2)C(=O)CCl)o1
InChIInChI=1S/C13H14ClNO3/c1-10-4-5-12(18-10)9-15(13(16)7-14)8-11-3-2-6-17-11/h2-6H,7-9H2,1H3
InChIKeyGMGWOUKHEBIXAC-UHFFFAOYSA-N
XLogP2.95
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.95
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

2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 39402827
N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide
CID 42773295
2-chloro-N-(3,3-difluoro-2,2-dimethylpentyl)-N-(furan-2-ylmethyl)acetamide
CID 167884453
N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3953294
N-benzyl-2-[(2-chloroacetyl)-(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4518262
N,N-bis(furan-2-ylmethyl)-2-propan-2-yloxyacetamide
CID 115593503
N,N-bis(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 52548109
3-cycloheptyl-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea
CID 17383933
N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide
CID 78915168
2-[furan-2-ylmethyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 5110905
methyl (2R)-2-[furan-2-ylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate
CID 93117383
1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol
CID 24713749

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 166415332) is 2-chloro-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CN(Cc2ccco2)C(=O)CCl)o1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is GMGWOUKHEBIXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-10-4-5-12(18-10)9-15(13(16)7-14)8-11-3-2-6-17-11/h2-6H,7-9H2,1H3.
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-chloro-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 267.71 g/mol, XLogP of 2.95, 5 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-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 166415332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).