4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide

C16H17BrN2O3 — CID 9481980

IUPAC4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide
SMILESC[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C16H17BrN2O3/c1-11(14-3-2-10-22-14)19-15(20)8-9-18-16(21)12-4-6-13(17)7-5-12/h2-7,10-11H,8-9H2,1H3,(H,18,21)(H,19,20)/t11-/m1/s1
InChIKeyVNLBRDVGKZVHCV-LLVKDONJSA-N
MW365.23 g/mol
LogP3.04
Rot. Bonds6

About 4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide

4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide (PubChem CID 9481980) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide
PubChem CID9481980
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide
SMILESC[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C16H17BrN2O3/c1-11(14-3-2-10-22-14)19-15(20)8-9-18-16(21)12-4-6-13(17)7-5-12/h2-7,10-11H,8-9H2,1H3,(H,18,21)(H,19,20)/t11-/m1/s1
InChIKeyVNLBRDVGKZVHCV-LLVKDONJSA-N
XLogP3.04
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-[1-(2-methylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 51149172
4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide
CID 9481896
5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide
CID 107908289
4-bromo-N-[3-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 26622015
2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8856625
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
CID 81400565
[(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 7692858
4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide
CID 120831395
4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
CID 24636628
4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide
CID 18162412
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 9492394

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide (CID 9481980) is 4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide is C[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccco1.
What is the InChIKey of 4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide?
The InChIKey is VNLBRDVGKZVHCV-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-11(14-3-2-10-22-14)19-15(20)8-9-18-16(21)12-4-6-13(17)7-5-12/h2-7,10-11H,8-9H2,1H3,(H,18,21)(H,19,20)/t11-/m1/s1.
What are the key properties of 4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide?
4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide has a molecular weight of 365.23 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 9481980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).