N-(2-chloroethyl)-3-(furan-2-yl)-N-pentan-3-ylpropanamide

C14H22ClNO2 — CID 55188196

IUPACN-(2-chloroethyl)-3-(furan-2-yl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)N(CCCl)C(=O)CCc1ccco1
InChIInChI=1S/C14H22ClNO2/c1-3-12(4-2)16(10-9-15)14(17)8-7-13-6-5-11-18-13/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyJYQWUWQXCZVAMP-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.47
Rot. Bonds8

About N-(2-chloroethyl)-3-(furan-2-yl)-N-pentan-3-ylpropanamide

N-(2-chloroethyl)-3-(furan-2-yl)-N-pentan-3-ylpropanamide (PubChem CID 55188196) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-3-(furan-2-yl)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-3-(furan-2-yl)-N-pentan-3-ylpropanamide
PubChem CID55188196
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC NameN-(2-chloroethyl)-3-(furan-2-yl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)N(CCCl)C(=O)CCc1ccco1
InChIInChI=1S/C14H22ClNO2/c1-3-12(4-2)16(10-9-15)14(17)8-7-13-6-5-11-18-13/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyJYQWUWQXCZVAMP-UHFFFAOYSA-N
XLogP3.47
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.47
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-(2-chloroethyl)-N-ethyl-3-(furan-2-yl)propanamide
CID 63395584
N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
CID 80659443
N-ethyl-3-(furan-2-yl)-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 56789024
4-ethyl-1-(furan-2-yl)hexan-3-one
CID 105117415
3-[ethyl-[3-(furan-2-yl)propanoyl]amino]propanoic acid
CID 61008139
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide
CID 50964980
2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
CID 62626533
N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide
CID 95625353
methyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate
CID 54979232
2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid
CID 28778124
3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide
CID 112501488
N-(2-aminopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 63754121

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3-(furan-2-yl)-N-pentan-3-ylpropanamide?
The IUPAC name of N-(2-chloroethyl)-3-(furan-2-yl)-N-pentan-3-ylpropanamide (CID 55188196) is N-(2-chloroethyl)-3-(furan-2-yl)-N-pentan-3-ylpropanamide.
What is the SMILES notation for N-(2-chloroethyl)-3-(furan-2-yl)-N-pentan-3-ylpropanamide?
The canonical SMILES for N-(2-chloroethyl)-3-(furan-2-yl)-N-pentan-3-ylpropanamide is CCC(CC)N(CCCl)C(=O)CCc1ccco1.
What is the InChIKey of N-(2-chloroethyl)-3-(furan-2-yl)-N-pentan-3-ylpropanamide?
The InChIKey is JYQWUWQXCZVAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-3-12(4-2)16(10-9-15)14(17)8-7-13-6-5-11-18-13/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-3-(furan-2-yl)-N-pentan-3-ylpropanamide?
N-(2-chloroethyl)-3-(furan-2-yl)-N-pentan-3-ylpropanamide has a molecular weight of 271.79 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-3-(furan-2-yl)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 55188196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).