3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide

C12H16BrClN2O2 — CID 107940200

IUPAC3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
SMILESCC(O)CNCCNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H16BrClN2O2/c1-8(17)7-15-2-3-16-12(18)9-4-10(13)6-11(14)5-9/h4-6,8,15,17H,2-3,7H2,1H3,(H,16,18)
InChIKeyAQTWXXMEHPPTDT-UHFFFAOYSA-N
MW335.63 g/mol
LogP1.80
Rot. Bonds6

About 3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide

3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide (PubChem CID 107940200) has the molecular formula C12H16BrClN2O2 and a molecular weight of 335.63 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
PubChem CID107940200
Molecular FormulaC12H16BrClN2O2
Molecular Weight335.63 g/mol
Exact Mass334.01
IUPAC Name3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
SMILESCC(O)CNCCNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H16BrClN2O2/c1-8(17)7-15-2-3-16-12(18)9-4-10(13)6-11(14)5-9/h4-6,8,15,17H,2-3,7H2,1H3,(H,16,18)
InChIKeyAQTWXXMEHPPTDT-UHFFFAOYSA-N
XLogP1.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 113430430
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide
CID 107952489
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
CID 103909431
3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103827221
3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide
CID 110620419
3,4-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593713
5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide
CID 107963728
3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 113286145
N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide
CID 110609883
3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 103826959

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide (CID 107940200) is 3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide is CC(O)CNCCNC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide?
The InChIKey is AQTWXXMEHPPTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2/c1-8(17)7-15-2-3-16-12(18)9-4-10(13)6-11(14)5-9/h4-6,8,15,17H,2-3,7H2,1H3,(H,16,18).
What are the key properties of 3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide?
3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide has a molecular weight of 335.63 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide is sourced from PubChem (CID 107940200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).