N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide

C14H14BrNO3 — CID 110788022

IUPACN-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(Br)cc1CCNC(=O)c1ccco1
InChIInChI=1S/C14H14BrNO3/c1-18-12-5-4-11(15)9-10(12)6-7-16-14(17)13-3-2-8-19-13/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyLISMJHXKEZHFLH-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.02
Rot. Bonds5

About N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide

N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide (PubChem CID 110788022) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide
PubChem CID110788022
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC NameN-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(Br)cc1CCNC(=O)c1ccco1
InChIInChI=1S/C14H14BrNO3/c1-18-12-5-4-11(15)9-10(12)6-7-16-14(17)13-3-2-8-19-13/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyLISMJHXKEZHFLH-UHFFFAOYSA-N
XLogP3.02
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide
CID 110792461
N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide
CID 26457203
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110788017
methyl 2-[2-(5-bromo-2-methoxyphenyl)ethylamino]-2-oxoacetate
CID 115142532
N-[5-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41309194
N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 24683474
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 115152018
N-[5-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 33319271
N-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]furan-2-carboxamide
CID 112828718
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208
2-(aminomethyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]butanamide
CID 115187049
N-[2-(7-methoxynaphthalen-1-yl)ethyl]furan-2-carboxamide
CID 44581533

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide (CID 110788022) is N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide is COc1ccc(Br)cc1CCNC(=O)c1ccco1.
What is the InChIKey of N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide?
The InChIKey is LISMJHXKEZHFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-18-12-5-4-11(15)9-10(12)6-7-16-14(17)13-3-2-8-19-13/h2-5,8-9H,6-7H2,1H3,(H,16,17).
What are the key properties of N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide?
N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide has a molecular weight of 324.17 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 110788022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).