5-chloro-N-[furan-2-yl(phenyl)methyl]pentanamide

C16H18ClNO2 — CID 60780335

IUPAC5-chloro-N-[furan-2-yl(phenyl)methyl]pentanamide
SMILESO=C(CCCCCl)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C16H18ClNO2/c17-11-5-4-10-15(19)18-16(14-9-6-12-20-14)13-7-2-1-3-8-13/h1-3,6-9,12,16H,4-5,10-11H2,(H,18,19)
InChIKeyQLIBPZLVYOWHMN-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.89
Rot. Bonds7

About 5-chloro-N-[furan-2-yl(phenyl)methyl]pentanamide

5-chloro-N-[furan-2-yl(phenyl)methyl]pentanamide (PubChem CID 60780335) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-chloro-N-[furan-2-yl(phenyl)methyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[furan-2-yl(phenyl)methyl]pentanamide
PubChem CID60780335
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name5-chloro-N-[furan-2-yl(phenyl)methyl]pentanamide
SMILESO=C(CCCCCl)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C16H18ClNO2/c17-11-5-4-10-15(19)18-16(14-9-6-12-20-14)13-7-2-1-3-8-13/h1-3,6-9,12,16H,4-5,10-11H2,(H,18,19)
InChIKeyQLIBPZLVYOWHMN-UHFFFAOYSA-N
XLogP3.89
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide
CID 60780331
5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid
CID 60708135
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[furan-2-yl(phenyl)methyl]butanamide
CID 134029343
N-[furan-2-yl(phenyl)methyl]-2-methoxyacetamide
CID 47140612
2-(3,4-dichlorophenyl)-N-[(R)-furan-2-yl(phenyl)methyl]acetamide
CID 8928200
2-(4-chlorophenoxy)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide
CID 8928209
4-(4-acetyl-2-methoxyphenoxy)-N-[furan-2-yl(phenyl)methyl]butanamide
CID 55759778
[furan-2-yl(phenyl)methyl]urea
CID 14906081
2-ethoxy-N-[furan-2-yl(phenyl)methyl]acetamide
CID 60712310
N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide
CID 60661858
5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 107862734
N-[furan-2-yl(phenyl)methyl]-2-(N-methylanilino)acetamide
CID 78807275

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[furan-2-yl(phenyl)methyl]pentanamide?
The IUPAC name of 5-chloro-N-[furan-2-yl(phenyl)methyl]pentanamide (CID 60780335) is 5-chloro-N-[furan-2-yl(phenyl)methyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[furan-2-yl(phenyl)methyl]pentanamide?
The canonical SMILES for 5-chloro-N-[furan-2-yl(phenyl)methyl]pentanamide is O=C(CCCCCl)NC(c1ccccc1)c1ccco1.
What is the InChIKey of 5-chloro-N-[furan-2-yl(phenyl)methyl]pentanamide?
The InChIKey is QLIBPZLVYOWHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c17-11-5-4-10-15(19)18-16(14-9-6-12-20-14)13-7-2-1-3-8-13/h1-3,6-9,12,16H,4-5,10-11H2,(H,18,19).
What are the key properties of 5-chloro-N-[furan-2-yl(phenyl)methyl]pentanamide?
5-chloro-N-[furan-2-yl(phenyl)methyl]pentanamide has a molecular weight of 291.78 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[furan-2-yl(phenyl)methyl]pentanamide is sourced from PubChem (CID 60780335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).