5-bromo-N-methyl-N-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide

C22H27BrN4O4 — CID 55981496

IUPAC5-bromo-N-methyl-N-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C22H27BrN4O4/c1-3-10-24-20(28)15-26-11-13-27(14-12-26)21(29)16-6-4-5-7-17(16)25(2)22(30)18-8-9-19(23)31-18/h4-9H,3,10-15H2,1-2H3,(H,24,28)
InChIKeyUSIFSFVNDXELMQ-UHFFFAOYSA-N
MW491.39 g/mol
LogP2.60
Rot. Bonds7

About 5-bromo-N-methyl-N-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide

5-bromo-N-methyl-N-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 55981496) has the molecular formula C22H27BrN4O4 and a molecular weight of 491.39 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide
PubChem CID55981496
Molecular FormulaC22H27BrN4O4
Molecular Weight491.39 g/mol
Exact Mass490.12
IUPAC Name5-bromo-N-methyl-N-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C22H27BrN4O4/c1-3-10-24-20(28)15-26-11-13-27(14-12-26)21(29)16-6-4-5-7-17(16)25(2)22(30)18-8-9-19(23)31-18/h4-9H,3,10-15H2,1-2H3,(H,24,28)
InChIKeyUSIFSFVNDXELMQ-UHFFFAOYSA-N
XLogP2.60
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-methyl-N-[2-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 55963377
2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide
CID 36918078
5-bromo-N-methyl-N-[2-[3-(methylamino)propylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119432173
2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide
CID 134014545
N-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 120507749
2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156804
5-bromo-N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoyl)phenyl]-N-methylfuran-2-carboxamide
CID 55965542
5-bromo-N-[2-[[4-(carbamoylamino)phenyl]methylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 112838198
5-bromo-N-[2-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55791780
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 51231932
2-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide
CID 74229259
5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55786558

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide (CID 55981496) is 5-bromo-N-methyl-N-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide is CCCNC(=O)CN1CCN(C(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of 5-bromo-N-methyl-N-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The InChIKey is USIFSFVNDXELMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN4O4/c1-3-10-24-20(28)15-26-11-13-27(14-12-26)21(29)16-6-4-5-7-17(16)25(2)22(30)18-8-9-19(23)31-18/h4-9H,3,10-15H2,1-2H3,(H,24,28).
What are the key properties of 5-bromo-N-methyl-N-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
5-bromo-N-methyl-N-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 491.39 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55981496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).