4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide

C19H19BrN2O2 — CID 4805536

IUPAC4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H19BrN2O2/c20-16-7-4-14(5-8-16)19(24)21-11-10-18(23)22-17-9-6-13-2-1-3-15(13)12-17/h4-9,12H,1-3,10-11H2,(H,21,24)(H,22,23)
InChIKeyKZCWNNLTKVDZQM-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.70
Rot. Bonds5

About 4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide

4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide (PubChem CID 4805536) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide
PubChem CID4805536
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H19BrN2O2/c20-16-7-4-14(5-8-16)19(24)21-11-10-18(23)22-17-9-6-13-2-1-3-15(13)12-17/h4-9,12H,1-3,10-11H2,(H,21,24)(H,22,23)
InChIKeyKZCWNNLTKVDZQM-UHFFFAOYSA-N
XLogP3.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18135257
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
4-bromo-N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide
CID 27838036
N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide
CID 30489420
4-bromo-N-[3-oxo-3-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)propyl]benzamide
CID 43000654
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide
CID 52718973
4-bromo-N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]benzamide
CID 26515879
4-bromo-N-[3-[3-(dimethylsulfamoyl)-4-methylanilino]-3-oxopropyl]benzamide
CID 26774195
3-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-(4-bromophenyl)propanamide;hydroiodide
CID 111076898
N-[3-(4-bromoanilino)-3-oxopropyl]-4-nitrobenzamide
CID 2598747
3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 107980005
3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
CID 18071901

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide (CID 4805536) is 4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide?
The InChIKey is KZCWNNLTKVDZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c20-16-7-4-14(5-8-16)19(24)21-11-10-18(23)22-17-9-6-13-2-1-3-15(13)12-17/h4-9,12H,1-3,10-11H2,(H,21,24)(H,22,23).
What are the key properties of 4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide?
4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide has a molecular weight of 387.28 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 4805536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).