N-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide

C15H16BrNO2 — CID 112726756

IUPACN-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)Cc2ccccc2Br)o1
InChIInChI=1S/C15H16BrNO2/c1-3-12-8-9-14(19-12)15(18)17(2)10-11-6-4-5-7-13(11)16/h4-9H,3,10H2,1-2H3
InChIKeyKVHMEGZWRPQGJP-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.88
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide

N-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide (PubChem CID 112726756) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide
PubChem CID112726756
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC NameN-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)Cc2ccccc2Br)o1
InChIInChI=1S/C15H16BrNO2/c1-3-12-8-9-14(19-12)15(18)17(2)10-11-6-4-5-7-13(11)16/h4-9H,3,10H2,1-2H3
InChIKeyKVHMEGZWRPQGJP-UHFFFAOYSA-N
XLogP3.88
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 31215377
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2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
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5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 60631156
N-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 46482012
N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 60630835
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
N-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide
CID 79096678
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide
CID 112726763
4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 78906851
N-[(2-bromophenyl)methyl]-N-methylheptanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide (CID 112726756) is N-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide is CCc1ccc(C(=O)N(C)Cc2ccccc2Br)o1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide?
The InChIKey is KVHMEGZWRPQGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-3-12-8-9-14(19-12)15(18)17(2)10-11-6-4-5-7-13(11)16/h4-9H,3,10H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide?
N-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide has a molecular weight of 322.20 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide is sourced from PubChem (CID 112726756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).