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

C14H14BrNO2 — CID 110792461

IUPACN-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide
SMILESCc1ccc(Br)cc1CCNC(=O)c1ccco1
InChIInChI=1S/C14H14BrNO2/c1-10-4-5-12(15)9-11(10)6-7-16-14(17)13-3-2-8-18-13/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeySPFVDVBSFPCSGF-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.32
Rot. Bonds4

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

N-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide (PubChem CID 110792461) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide
PubChem CID110792461
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC NameN-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide
SMILESCc1ccc(Br)cc1CCNC(=O)c1ccco1
InChIInChI=1S/C14H14BrNO2/c1-10-4-5-12(15)9-11(10)6-7-16-14(17)13-3-2-8-18-13/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeySPFVDVBSFPCSGF-UHFFFAOYSA-N
XLogP3.32
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 110788022
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439
5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 65309421
N-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide
CID 18154853
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[2-(5-bromo-2-methylphenyl)ethyl]-4-oxopentanamide
CID 115176955
N-[3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 55716370
2-amino-3-[2-(5-bromo-2-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115179465
2-[2-(5-bromo-2-methylphenyl)ethylcarbamoyl]butanoic acid
CID 115186061
1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189978
ethyl 2-[2-(5-bromo-2-methylphenyl)ethylamino]-2-oxoacetate
CID 115142069
N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide
CID 26457203

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide (CID 110792461) is N-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide is Cc1ccc(Br)cc1CCNC(=O)c1ccco1.
What is the InChIKey of N-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide?
The InChIKey is SPFVDVBSFPCSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-10-4-5-12(15)9-11(10)6-7-16-14(17)13-3-2-8-18-13/h2-5,8-9H,6-7H2,1H3,(H,16,17).
What are the key properties of N-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide?
N-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 110792461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).