4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide

C14H20BrNO3 — CID 115369231

IUPAC4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide
SMILESCOc1cc(Br)ccc1C(=O)N(CCCO)C(C)C
InChIInChI=1S/C14H20BrNO3/c1-10(2)16(7-4-8-17)14(18)12-6-5-11(15)9-13(12)19-3/h5-6,9-10,17H,4,7-8H2,1-3H3
InChIKeyNTOVOCQMFLMRFL-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.69
Rot. Bonds6

About 4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide

4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide (PubChem CID 115369231) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide
PubChem CID115369231
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide
SMILESCOc1cc(Br)ccc1C(=O)N(CCCO)C(C)C
InChIInChI=1S/C14H20BrNO3/c1-10(2)16(7-4-8-17)14(18)12-6-5-11(15)9-13(12)19-3/h5-6,9-10,17H,4,7-8H2,1-3H3
InChIKeyNTOVOCQMFLMRFL-UHFFFAOYSA-N
XLogP2.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 78987573
5-bromo-2-hydroxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 107729713
4-bromo-N-(cyanomethyl)-2-methoxy-N-propan-2-ylbenzamide
CID 80548287
4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 61039164
2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61038650
4-bromo-N-butyl-2-methoxy-N-methylbenzamide
CID 78987650
4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 80661501
N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide
CID 61349332
4-bromo-2-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 78987861
2-bromo-5-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61038774
4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide
CID 115370131
5-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 80661582

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of 4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide (CID 115369231) is 4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide is COc1cc(Br)ccc1C(=O)N(CCCO)C(C)C.
What is the InChIKey of 4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide?
The InChIKey is NTOVOCQMFLMRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-10(2)16(7-4-8-17)14(18)12-6-5-11(15)9-13(12)19-3/h5-6,9-10,17H,4,7-8H2,1-3H3.
What are the key properties of 4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide?
4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide has a molecular weight of 330.22 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 115369231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).