5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide

C13H15BrN2O3 — CID 107729793

IUPAC5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide
SMILESO=C(CCNC(=O)c1cc(Br)ccc1O)NC1CC1
InChIInChI=1S/C13H15BrN2O3/c14-8-1-4-11(17)10(7-8)13(19)15-6-5-12(18)16-9-2-3-9/h1,4,7,9,17H,2-3,5-6H2,(H,15,19)(H,16,18)
InChIKeyJJKRBHBNDVJIQA-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.55
Rot. Bonds5

About 5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide

5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide (PubChem CID 107729793) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide
PubChem CID107729793
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide
SMILESO=C(CCNC(=O)c1cc(Br)ccc1O)NC1CC1
InChIInChI=1S/C13H15BrN2O3/c14-8-1-4-11(17)10(7-8)13(19)15-6-5-12(18)16-9-2-3-9/h1,4,7,9,17H,2-3,5-6H2,(H,15,19)(H,16,18)
InChIKeyJJKRBHBNDVJIQA-UHFFFAOYSA-N
XLogP1.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 103719384
N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide
CID 78917550
4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide
CID 24635141
3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide
CID 79401552
N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide
CID 104872204
2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 79395352
5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide
CID 103711996
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705738
5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603311
5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide
CID 107730547
N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide
CID 43420144
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide
CID 79386437

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide (CID 107729793) is 5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide is O=C(CCNC(=O)c1cc(Br)ccc1O)NC1CC1.
What is the InChIKey of 5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide?
The InChIKey is JJKRBHBNDVJIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c14-8-1-4-11(17)10(7-8)13(19)15-6-5-12(18)16-9-2-3-9/h1,4,7,9,17H,2-3,5-6H2,(H,15,19)(H,16,18).
What are the key properties of 5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide?
5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide has a molecular weight of 327.18 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide is sourced from PubChem (CID 107729793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).