N-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide

C13H12ClNO2 — CID 168528492

IUPACN-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2ccco2)c(Cl)c1
InChIInChI=1S/C13H12ClNO2/c1-9(16)15-8-10-4-5-11(12(14)7-10)13-3-2-6-17-13/h2-7H,8H2,1H3,(H,15,16)
InChIKeyJVJHYPZKDVWHFB-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.24
Rot. Bonds3

About N-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide

N-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide (PubChem CID 168528492) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is N-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide
PubChem CID168528492
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC NameN-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2ccco2)c(Cl)c1
InChIInChI=1S/C13H12ClNO2/c1-9(16)15-8-10-4-5-11(12(14)7-10)13-3-2-6-17-13/h2-7H,8H2,1H3,(H,15,16)
InChIKeyJVJHYPZKDVWHFB-UHFFFAOYSA-N
XLogP3.24
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide
CID 67148459
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
N-(furan-2-ylmethyl)acetamide
CID 2394850
2,6-dichloro-4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]benzoic acid
CID 20610026
N-[(3,5-dichlorophenyl)methyl]acetamide
CID 18425630
ethane;5-ethyl-2-(furan-2-yl)phenol
CID 145395239
5-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51057984
4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029454
2-(4-chlorophenoxy)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-2-methylpropanamide
CID 91630450
N-[(4-chlorophenyl)methyl]-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide
CID 53155482
methyl 2-chloro-6-(furan-2-yl)benzoate
CID 168524975
3-acetamido-2-[[2,6-dichloro-4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoic acid
CID 20768916

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide?
The IUPAC name of N-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide (CID 168528492) is N-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(-c2ccco2)c(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide?
The InChIKey is JVJHYPZKDVWHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-9(16)15-8-10-4-5-11(12(14)7-10)13-3-2-6-17-13/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of N-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide?
N-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide has a molecular weight of 249.70 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 168528492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).