5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide

C14H14ClNO3 — CID 113221625

IUPAC5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(Cl)o2)cc1
InChIInChI=1S/C14H14ClNO3/c1-9(10-3-5-11(18-2)6-4-10)16-14(17)12-7-8-13(15)19-12/h3-9H,1-2H3,(H,16,17)
InChIKeyGEYREKVWTIOTNY-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.43
Rot. Bonds4

About 5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide

5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide (PubChem CID 113221625) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
PubChem CID113221625
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(Cl)o2)cc1
InChIInChI=1S/C14H14ClNO3/c1-9(10-3-5-11(18-2)6-4-10)16-14(17)12-7-8-13(15)19-12/h3-9H,1-2H3,(H,16,17)
InChIKeyGEYREKVWTIOTNY-UHFFFAOYSA-N
XLogP3.43
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide
CID 113221636
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
6-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]-4-oxopyran-2-carboxylic acid
CID 59356746
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745
N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide
CID 100795374
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
5-[(2-methoxyphenoxy)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 35529733
5-[(2-methoxyphenoxy)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 35529730
3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 103985509
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
CID 8752261
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide (CID 113221625) is 5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide is COc1ccc(C(C)NC(=O)c2ccc(Cl)o2)cc1.
What is the InChIKey of 5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide?
The InChIKey is GEYREKVWTIOTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-9(10-3-5-11(18-2)6-4-10)16-14(17)12-7-8-13(15)19-12/h3-9H,1-2H3,(H,16,17).
What are the key properties of 5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide?
5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide has a molecular weight of 279.72 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 113221625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).