2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide

C11H14ClNO3 — CID 106812376

IUPAC2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide
SMILESCOC1(CNC(=O)c2ccoc2Cl)CCC1
InChIInChI=1S/C11H14ClNO3/c1-15-11(4-2-5-11)7-13-10(14)8-3-6-16-9(8)12/h3,6H,2,4-5,7H2,1H3,(H,13,14)
InChIKeyDRUVDQHIJWIKIU-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.23
Rot. Bonds4

About 2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide

2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide (PubChem CID 106812376) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide
PubChem CID106812376
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide
SMILESCOC1(CNC(=O)c2ccoc2Cl)CCC1
InChIInChI=1S/C11H14ClNO3/c1-15-11(4-2-5-11)7-13-10(14)8-3-6-16-9(8)12/h3,6H,2,4-5,7H2,1H3,(H,13,14)
InChIKeyDRUVDQHIJWIKIU-UHFFFAOYSA-N
XLogP2.23
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide
CID 106686927
2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide
CID 106690116
2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide
CID 106687086
2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide
CID 106686929
2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide
CID 103993329
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorofuran-3-carboxamide
CID 106690207
2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide
CID 103993294
2-chloro-N-(cyclobutylmethyl)furan-3-carboxamide
CID 106685401
2-chloro-N-(2-methoxy-2-methylpropyl)furan-3-carboxamide
CID 106687227
2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfanylbenzamide
CID 114120959
2-bromo-5-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide
CID 113362668

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide (CID 106812376) is 2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide is COC1(CNC(=O)c2ccoc2Cl)CCC1.
What is the InChIKey of 2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide?
The InChIKey is DRUVDQHIJWIKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-15-11(4-2-5-11)7-13-10(14)8-3-6-16-9(8)12/h3,6H,2,4-5,7H2,1H3,(H,13,14).
What are the key properties of 2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide?
2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide has a molecular weight of 243.69 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide is sourced from PubChem (CID 106812376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).