4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide

C12H15BrN2O2 — CID 51464444

IUPAC4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
SMILESCCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O2/c1-3-14-11(16)8(2)15-12(17)9-4-6-10(13)7-5-9/h4-8H,3H2,1-2H3,(H,14,16)(H,15,17)/t8-/m1/s1
InChIKeyPRTFENOYHCSMBX-MRVPVSSYSA-N
MW299.17 g/mol
LogP1.70
Rot. Bonds4

About 4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide

4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 51464444) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
PubChem CID51464444
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
SMILESCCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O2/c1-3-14-11(16)8(2)15-12(17)9-4-6-10(13)7-5-9/h4-8H,3H2,1-2H3,(H,14,16)(H,15,17)/t8-/m1/s1
InChIKeyPRTFENOYHCSMBX-MRVPVSSYSA-N
XLogP1.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide
CID 115283084
3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 103907452
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 60709622
4-tert-butyl-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8750199
4-bromo-N-[(2S)-1-[[4-(diethylamino)-4-oxobutyl]amino]-1-oxopropan-2-yl]benzamide
CID 51947951
5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 8750450
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(methoxymethyl)benzamide
CID 8751184
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide
CID 81360050
ethyl 2-[(4-bromobenzoyl)amino]propanoate
CID 19166830
4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 41192964
4-bromo-N-[(2S)-1-[[(2R)-2-(diethylamino)-2-phenylethyl]amino]-1-oxopropan-2-yl]benzamide
CID 25471623
[2-(ethylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880315

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide (CID 51464444) is 4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide is CCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is PRTFENOYHCSMBX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-3-14-11(16)8(2)15-12(17)9-4-6-10(13)7-5-9/h4-8H,3H2,1-2H3,(H,14,16)(H,15,17)/t8-/m1/s1.
What are the key properties of 4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide?
4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 299.17 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 51464444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).