N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide

C18H13Cl2NO3 — CID 25400603

IUPACN-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1occc1COc1ccccc1
InChIInChI=1S/C18H13Cl2NO3/c19-13-6-7-15(20)16(10-13)21-18(22)17-12(8-9-23-17)11-24-14-4-2-1-3-5-14/h1-10H,11H2,(H,21,22)
InChIKeyKKFGSXMZPNOKCV-UHFFFAOYSA-N
MW362.21 g/mol
LogP5.42
Rot. Bonds5

About N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide

N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 25400603) has the molecular formula C18H13Cl2NO3 and a molecular weight of 362.21 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID25400603
Molecular FormulaC18H13Cl2NO3
Molecular Weight362.21 g/mol
Exact Mass361.03
IUPAC NameN-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1occc1COc1ccccc1
InChIInChI=1S/C18H13Cl2NO3/c19-13-6-7-15(20)16(10-13)21-18(22)17-12(8-9-23-17)11-24-14-4-2-1-3-5-14/h1-10H,11H2,(H,21,22)
InChIKeyKKFGSXMZPNOKCV-UHFFFAOYSA-N
XLogP5.42
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.21
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17493088
N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17454230
N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 26014402
N-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46689440
ethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate
CID 87043175
N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 25398439
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 30804525
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866
3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid
CID 119220829
ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate
CID 34202497

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide (CID 25400603) is N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1occc1COc1ccccc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is KKFGSXMZPNOKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO3/c19-13-6-7-15(20)16(10-13)21-18(22)17-12(8-9-23-17)11-24-14-4-2-1-3-5-14/h1-10H,11H2,(H,21,22).
What are the key properties of N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide?
N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 362.21 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 25400603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).