4-bromo-N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]benzamide

C20H21BrN2O2 — CID 26515879

IUPAC4-bromo-N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1cccc2c1CCCC2
InChIInChI=1S/C20H21BrN2O2/c21-16-10-8-15(9-11-16)20(25)22-13-12-19(24)23-18-7-3-5-14-4-1-2-6-17(14)18/h3,5,7-11H,1-2,4,6,12-13H2,(H,22,25)(H,23,24)
InChIKeyDBEVEFPGWMPQJO-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.09
Rot. Bonds5

About 4-bromo-N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]benzamide

4-bromo-N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]benzamide (PubChem CID 26515879) has the molecular formula C20H21BrN2O2 and a molecular weight of 401.30 g/mol. Its IUPAC name is 4-bromo-N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]benzamide
PubChem CID26515879
Molecular FormulaC20H21BrN2O2
Molecular Weight401.30 g/mol
Exact Mass400.08
IUPAC Name4-bromo-N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1cccc2c1CCCC2
InChIInChI=1S/C20H21BrN2O2/c21-16-10-8-15(9-11-16)20(25)22-13-12-19(24)23-18-7-3-5-14-4-1-2-6-17(14)18/h3,5,7-11H,1-2,4,6,12-13H2,(H,22,25)(H,23,24)
InChIKeyDBEVEFPGWMPQJO-UHFFFAOYSA-N
XLogP4.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]naphthalene-2-carboxamide
CID 46589497
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide
CID 4805536
3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 47175572
5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid
CID 17435174
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide
CID 26239604
S-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl] ethanethioate
CID 88670492
4-bromo-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]benzamide
CID 35326995
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 17386781
2-(4-hydroxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 78838548
4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide
CID 7961221

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]benzamide (CID 26515879) is 4-bromo-N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)Nc1cccc2c1CCCC2.
What is the InChIKey of 4-bromo-N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]benzamide?
The InChIKey is DBEVEFPGWMPQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O2/c21-16-10-8-15(9-11-16)20(25)22-13-12-19(24)23-18-7-3-5-14-4-1-2-6-17(14)18/h3,5,7-11H,1-2,4,6,12-13H2,(H,22,25)(H,23,24).
What are the key properties of 4-bromo-N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]benzamide?
4-bromo-N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]benzamide has a molecular weight of 401.30 g/mol, XLogP of 4.09, 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-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]benzamide is sourced from PubChem (CID 26515879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).