4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide

C14H15BrN2O2 — CID 43681973

IUPAC4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCc2ccc(Br)o2)cc1
InChIInChI=1S/C14H15BrN2O2/c1-17(2)14(18)10-3-5-11(6-4-10)16-9-12-7-8-13(15)19-12/h3-8,16H,9H2,1-2H3
InChIKeyCHIILOUPOOQECK-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.36
Rot. Bonds4

About 4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide

4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide (PubChem CID 43681973) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide
PubChem CID43681973
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCc2ccc(Br)o2)cc1
InChIInChI=1S/C14H15BrN2O2/c1-17(2)14(18)10-3-5-11(6-4-10)16-9-12-7-8-13(15)19-12/h3-8,16H,9H2,1-2H3
InChIKeyCHIILOUPOOQECK-UHFFFAOYSA-N
XLogP3.36
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
CID 43720757
N,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide
CID 43780630
4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60934971
N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 43725286
2-[4-(dimethylcarbamoyl)anilino]acetic acid
CID 58044865
2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 43737640
N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]ethanesulfonamide
CID 60931388
4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide
CID 43230444
5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55791104
N-[(5-bromofuran-2-yl)methyl]-4-propylaniline
CID 28665805
3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60926484
4-N-[(5-bromofuran-2-yl)methyl]-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 54865355

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide (CID 43681973) is 4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NCc2ccc(Br)o2)cc1.
What is the InChIKey of 4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is CHIILOUPOOQECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-17(2)14(18)10-3-5-11(6-4-10)16-9-12-7-8-13(15)19-12/h3-8,16H,9H2,1-2H3.
What are the key properties of 4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide?
4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 323.19 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 43681973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).