N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide

C10H12ClNO2 — CID 115636695

IUPACN-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide
SMILESC=C(Cl)CNC(=O)c1ccc(CC)o1
InChIInChI=1S/C10H12ClNO2/c1-3-8-4-5-9(14-8)10(13)12-6-7(2)11/h4-5H,2-3,6H2,1H3,(H,12,13)
InChIKeyKSZRVTBIGJYTND-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.32
Rot. Bonds4

About N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide

N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide (PubChem CID 115636695) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide
PubChem CID115636695
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC NameN-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide
SMILESC=C(Cl)CNC(=O)c1ccc(CC)o1
InChIInChI=1S/C10H12ClNO2/c1-3-8-4-5-9(14-8)10(13)12-6-7(2)11/h4-5H,2-3,6H2,1H3,(H,12,13)
InChIKeyKSZRVTBIGJYTND-UHFFFAOYSA-N
XLogP2.32
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoprop-2-enyl)-5-ethylfuran-2-carboxamide
CID 115594455
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
N-(2-chloroprop-2-enyl)-4-ethylbenzamide
CID 115636471
5-ethyl-N-(3-iodopropyl)furan-2-carboxamide
CID 114504288
N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide
CID 112726773
5-ethyl-N-(3-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65034203
N-(5-aminopentyl)-5-ethylfuran-2-carboxamide
CID 79094477
N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide
CID 106166165
N-(2-chloro-2-phenylethyl)-5-ethylfuran-2-carboxamide
CID 113271401
5-ethyl-N-[(3-methylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 113400454
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide
CID 111452382
5-ethyl-N-(4-hydroxypentyl)furan-2-carboxamide
CID 107299752

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide (CID 115636695) is N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide is C=C(Cl)CNC(=O)c1ccc(CC)o1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide?
The InChIKey is KSZRVTBIGJYTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-3-8-4-5-9(14-8)10(13)12-6-7(2)11/h4-5H,2-3,6H2,1H3,(H,12,13).
What are the key properties of N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide?
N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide has a molecular weight of 213.66 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 115636695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).