N-[2-[bis(5-methylfuran-2-yl)methyl]-5-bromophenyl]acetamide

C19H18BrNO3 — CID 11603459

IUPACN-[2-[bis(5-methylfuran-2-yl)methyl]-5-bromophenyl]acetamide
SMILESCC(=O)Nc1cc(Br)ccc1C(c1ccc(C)o1)c1ccc(C)o1
InChIInChI=1S/C19H18BrNO3/c1-11-4-8-17(23-11)19(18-9-5-12(2)24-18)15-7-6-14(20)10-16(15)21-13(3)22/h4-10,19H,1-3H3,(H,21,22)
InChIKeyMFSGZORLTAPYCO-UHFFFAOYSA-N
MW388.26 g/mol
LogP5.39
Rot. Bonds4

About N-[2-[bis(5-methylfuran-2-yl)methyl]-5-bromophenyl]acetamide

N-[2-[bis(5-methylfuran-2-yl)methyl]-5-bromophenyl]acetamide (PubChem CID 11603459) has the molecular formula C19H18BrNO3 and a molecular weight of 388.26 g/mol. Its IUPAC name is N-[2-[bis(5-methylfuran-2-yl)methyl]-5-bromophenyl]acetamide.

Molecular Properties

Compound NameN-[2-[bis(5-methylfuran-2-yl)methyl]-5-bromophenyl]acetamide
PubChem CID11603459
Molecular FormulaC19H18BrNO3
Molecular Weight388.26 g/mol
Exact Mass387.05
IUPAC NameN-[2-[bis(5-methylfuran-2-yl)methyl]-5-bromophenyl]acetamide
SMILESCC(=O)Nc1cc(Br)ccc1C(c1ccc(C)o1)c1ccc(C)o1
InChIInChI=1S/C19H18BrNO3/c1-11-4-8-17(23-11)19(18-9-5-12(2)24-18)15-7-6-14(20)10-16(15)21-13(3)22/h4-10,19H,1-3H3,(H,21,22)
InChIKeyMFSGZORLTAPYCO-UHFFFAOYSA-N
XLogP5.39
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.26
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dibromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide
CID 112771099
(2,5-dibromophenyl)-(5-methylfuran-2-yl)methanol
CID 61099394
2-[bis(5-methylfuran-2-yl)methyl]-5-methoxybenzoate
CID 7174474
4-bromo-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 54933050
N-[2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetamide
CID 43735957
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
5-bromo-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 114259409
potassium 2-acetamido-4-bromobenzoate
CID 170782729
2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran
CID 2751428
N-(2-amino-4-bromophenyl)-5-methylfuran-2-carboxamide
CID 43130501
N-(5-bromo-2-phenylphenyl)acetamide
CID 139240765
5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)aniline
CID 107286030

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(5-methylfuran-2-yl)methyl]-5-bromophenyl]acetamide?
The IUPAC name of N-[2-[bis(5-methylfuran-2-yl)methyl]-5-bromophenyl]acetamide (CID 11603459) is N-[2-[bis(5-methylfuran-2-yl)methyl]-5-bromophenyl]acetamide.
What is the SMILES notation for N-[2-[bis(5-methylfuran-2-yl)methyl]-5-bromophenyl]acetamide?
The canonical SMILES for N-[2-[bis(5-methylfuran-2-yl)methyl]-5-bromophenyl]acetamide is CC(=O)Nc1cc(Br)ccc1C(c1ccc(C)o1)c1ccc(C)o1.
What is the InChIKey of N-[2-[bis(5-methylfuran-2-yl)methyl]-5-bromophenyl]acetamide?
The InChIKey is MFSGZORLTAPYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO3/c1-11-4-8-17(23-11)19(18-9-5-12(2)24-18)15-7-6-14(20)10-16(15)21-13(3)22/h4-10,19H,1-3H3,(H,21,22).
What are the key properties of N-[2-[bis(5-methylfuran-2-yl)methyl]-5-bromophenyl]acetamide?
N-[2-[bis(5-methylfuran-2-yl)methyl]-5-bromophenyl]acetamide has a molecular weight of 388.26 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(5-methylfuran-2-yl)methyl]-5-bromophenyl]acetamide is sourced from PubChem (CID 11603459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).