N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-(methoxymethyl)furan-2-carboxamide

C17H18BrNO3 — CID 78851933

IUPACN-[(3-bromophenyl)methyl]-N-cyclopropyl-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CC2)o1
InChIInChI=1S/C17H18BrNO3/c1-21-11-15-7-8-16(22-15)17(20)19(14-5-6-14)10-12-3-2-4-13(18)9-12/h2-4,7-9,14H,5-6,10-11H2,1H3
InChIKeyFCYRBSXAKFITQS-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.99
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-(methoxymethyl)furan-2-carboxamide

N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 78851933) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-cyclopropyl-5-(methoxymethyl)furan-2-carboxamide
PubChem CID78851933
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC NameN-[(3-bromophenyl)methyl]-N-cyclopropyl-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CC2)o1
InChIInChI=1S/C17H18BrNO3/c1-21-11-15-7-8-16(22-15)17(20)19(14-5-6-14)10-12-3-2-4-13(18)9-12/h2-4,7-9,14H,5-6,10-11H2,1H3
InChIKeyFCYRBSXAKFITQS-UHFFFAOYSA-N
XLogP3.99
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-(methoxymethyl)furan-2-carboxamide (CID 78851933) is N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CC2)o1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is FCYRBSXAKFITQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-21-11-15-7-8-16(22-15)17(20)19(14-5-6-14)10-12-3-2-4-13(18)9-12/h2-4,7-9,14H,5-6,10-11H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-(methoxymethyl)furan-2-carboxamide?
N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 364.24 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 78851933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).