N-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide

C18H19BrN2O3 — CID 126812802

IUPACN-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide
SMILESO=C(NCCC(=O)N1CCCCc2cc(Br)ccc21)c1ccco1
InChIInChI=1S/C18H19BrN2O3/c19-14-6-7-15-13(12-14)4-1-2-10-21(15)17(22)8-9-20-18(23)16-5-3-11-24-16/h3,5-7,11-12H,1-2,4,8-10H2,(H,20,23)
InChIKeyNAGOXRGRMLWCJG-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.53
Rot. Bonds4

About N-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide

N-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide (PubChem CID 126812802) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide
PubChem CID126812802
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide
SMILESO=C(NCCC(=O)N1CCCCc2cc(Br)ccc21)c1ccco1
InChIInChI=1S/C18H19BrN2O3/c19-14-6-7-15-13(12-14)4-1-2-10-21(15)17(22)8-9-20-18(23)16-5-3-11-24-16/h3,5-7,11-12H,1-2,4,8-10H2,(H,20,23)
InChIKeyNAGOXRGRMLWCJG-UHFFFAOYSA-N
XLogP3.53
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[3-(6-bromo-2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide
CID 126801416
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 53093574
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 78800817
1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide
CID 43049282
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 51218620
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 110481071
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone
CID 55915276
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]furan-2-carboxamide
CID 110788700
1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one
CID 142480057
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide
CID 110788529
3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 109034965
N-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide
CID 110792461

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide (CID 126812802) is N-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide is O=C(NCCC(=O)N1CCCCc2cc(Br)ccc21)c1ccco1.
What is the InChIKey of N-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide?
The InChIKey is NAGOXRGRMLWCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c19-14-6-7-15-13(12-14)4-1-2-10-21(15)17(22)8-9-20-18(23)16-5-3-11-24-16/h3,5-7,11-12H,1-2,4,8-10H2,(H,20,23).
What are the key properties of N-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide?
N-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 126812802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).