N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide

C15H16ClNO2 — CID 113272304

IUPACN-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NC(CCl)c2ccccc2)o1
InChIInChI=1S/C15H16ClNO2/c1-2-12-8-9-14(19-12)15(18)17-13(10-16)11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3,(H,17,18)
InChIKeyYNEAMZYHHMLOAP-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.55
Rot. Bonds5

About N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide

N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide (PubChem CID 113272304) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide
PubChem CID113272304
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC NameN-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NC(CCl)c2ccccc2)o1
InChIInChI=1S/C15H16ClNO2/c1-2-12-8-9-14(19-12)15(18)17-13(10-16)11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3,(H,17,18)
InChIKeyYNEAMZYHHMLOAP-UHFFFAOYSA-N
XLogP3.55
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43351348
(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 61143786
N-(2-chloro-2-phenylethyl)-5-ethylfuran-2-carboxamide
CID 113271401
N-(2-chloro-1-phenylethyl)-2-ethylbenzamide
CID 114300081
5-ethyl-N-(2-hydroxy-2-phenylethyl)furan-2-carboxamide
CID 43427837
N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 103944448
(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 93054886
N-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide
CID 114311008
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
N-(2-chloro-1-phenylethyl)-4-propan-2-ylbenzamide
CID 114300182
2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81077617
1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one
CID 63498003

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide?
The IUPAC name of N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide (CID 113272304) is N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)NC(CCl)c2ccccc2)o1.
What is the InChIKey of N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide?
The InChIKey is YNEAMZYHHMLOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-2-12-8-9-14(19-12)15(18)17-13(10-16)11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3,(H,17,18).
What are the key properties of N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide?
N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 113272304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).