3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide

C14H14ClNO2 — CID 60780331

IUPAC3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide
SMILESO=C(CCCl)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C14H14ClNO2/c15-9-8-13(17)16-14(12-7-4-10-18-12)11-5-2-1-3-6-11/h1-7,10,14H,8-9H2,(H,16,17)
InChIKeyPNGPECUPNJOPPJ-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.11
Rot. Bonds5

About 3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide

3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide (PubChem CID 60780331) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide
PubChem CID60780331
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide
SMILESO=C(CCCl)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C14H14ClNO2/c15-9-8-13(17)16-14(12-7-4-10-18-12)11-5-2-1-3-6-11/h1-7,10,14H,8-9H2,(H,16,17)
InChIKeyPNGPECUPNJOPPJ-UHFFFAOYSA-N
XLogP3.11
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.11
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

5-chloro-N-[furan-2-yl(phenyl)methyl]pentanamide
CID 60780335
5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid
CID 60708135
N-[furan-2-yl(phenyl)methyl]-2-methoxyacetamide
CID 47140612
2-(3,4-dichlorophenyl)-N-[(R)-furan-2-yl(phenyl)methyl]acetamide
CID 8928200
[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
N-[furan-2-yl(phenyl)methyl]-2-(N-methylanilino)acetamide
CID 78807275
5-[[(S)-furan-2-yl(phenyl)methyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 94553211
2-(4-chlorophenoxy)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide
CID 8928209
2-[(2-chlorophenyl)methoxy]-N-[furan-2-yl(phenyl)methyl]acetamide
CID 55772590
N-[furan-2-yl(phenyl)methyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 131898891

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide?
The IUPAC name of 3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide (CID 60780331) is 3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide.
What is the SMILES notation for 3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide?
The canonical SMILES for 3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide is O=C(CCCl)NC(c1ccccc1)c1ccco1.
What is the InChIKey of 3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide?
The InChIKey is PNGPECUPNJOPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c15-9-8-13(17)16-14(12-7-4-10-18-12)11-5-2-1-3-6-11/h1-7,10,14H,8-9H2,(H,16,17).
What are the key properties of 3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide?
3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide has a molecular weight of 263.72 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide is sourced from PubChem (CID 60780331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).