N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide

C16H18ClNO2 — CID 79084049

IUPACN-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)N(CCCl)Cc2ccccc2)o1
InChIInChI=1S/C16H18ClNO2/c1-2-14-8-9-15(20-14)16(19)18(11-10-17)12-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3
InChIKeyQDTAMQBTYXPFLA-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.72
Rot. Bonds6

About N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide

N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide (PubChem CID 79084049) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide
PubChem CID79084049
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC NameN-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)N(CCCl)Cc2ccccc2)o1
InChIInChI=1S/C16H18ClNO2/c1-2-14-8-9-15(20-14)16(19)18(11-10-17)12-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3
InChIKeyQDTAMQBTYXPFLA-UHFFFAOYSA-N
XLogP3.72
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide
CID 106689849
N-benzyl-N-(2-chloroethyl)propanamide
CID 63390961
N-(2-chloroethyl)-5-ethyl-N-propan-2-ylfuran-2-carboxamide
CID 79084661
N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide
CID 79084217
N-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide
CID 114263891
2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid
CID 54898860
N-[2-(dimethylamino)ethyl]-5-ethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 56783054
N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 115771226
N-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide
CID 63395497
N-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide
CID 120649558
N,N-dibenzyl-5-bromofuran-2-carboxamide
CID 1042531
N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide
CID 65309508

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide?
The IUPAC name of N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide (CID 79084049) is N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)N(CCCl)Cc2ccccc2)o1.
What is the InChIKey of N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide?
The InChIKey is QDTAMQBTYXPFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-2-14-8-9-15(20-14)16(19)18(11-10-17)12-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3.
What are the key properties of N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide?
N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 79084049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).