3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide

C14H21BrN2O2 — CID 107872372

IUPAC3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCCCCN(CCO)C(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C14H21BrN2O2/c1-3-4-5-17(6-7-18)14(19)12-8-11(15)9-13(16)10(12)2/h8-9,18H,3-7,16H2,1-2H3
InChIKeyKTGLYEFASFBBGO-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.57
Rot. Bonds6

About 3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide

3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 107872372) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide
PubChem CID107872372
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCCCCN(CCO)C(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C14H21BrN2O2/c1-3-4-5-17(6-7-18)14(19)12-8-11(15)9-13(16)10(12)2/h8-9,18H,3-7,16H2,1-2H3
InChIKeyKTGLYEFASFBBGO-UHFFFAOYSA-N
XLogP2.57
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide
CID 107872178
3-amino-5-bromo-2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 114011377
ethyl 2-[(3-amino-5-bromo-2-methylbenzoyl)-propylamino]acetate
CID 107872593
3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 114011338
3-amino-5-bromo-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide
CID 107872322
6-amino-N-butyl-N-(2-hydroxyethyl)-1,3-benzodioxole-5-carboxamide
CID 103542913
5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 62815261
5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 65311466
5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide
CID 62815244
1-(4-bromophenyl)-N-butyl-N-(2-hydroxyethyl)-5-methylpyrazole-4-carboxamide
CID 78855646
4-bromo-N,N-dibutyl-2-sulfanylbenzamide
CID 107022149
N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide
CID 79808500

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide (CID 107872372) is 3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide is CCCCN(CCO)C(=O)c1cc(Br)cc(N)c1C.
What is the InChIKey of 3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is KTGLYEFASFBBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-3-4-5-17(6-7-18)14(19)12-8-11(15)9-13(16)10(12)2/h8-9,18H,3-7,16H2,1-2H3.
What are the key properties of 3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide?
3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 329.24 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 107872372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).