N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide

C12H17BrN2O2 — CID 110880847

IUPACN-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1cccc(Br)c1)N(C)CCO
InChIInChI=1S/C12H17BrN2O2/c1-9(15(2)6-7-16)12(17)14-11-5-3-4-10(13)8-11/h3-5,8-9,16H,6-7H2,1-2H3,(H,14,17)
InChIKeyYGMIKBBNUFFFAN-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.70
Rot. Bonds5

About N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide

N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide (PubChem CID 110880847) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
PubChem CID110880847
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC NameN-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1cccc(Br)c1)N(C)CCO
InChIInChI=1S/C12H17BrN2O2/c1-9(15(2)6-7-16)12(17)14-11-5-3-4-10(13)8-11/h3-5,8-9,16H,6-7H2,1-2H3,(H,14,17)
InChIKeyYGMIKBBNUFFFAN-UHFFFAOYSA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(3-bromoanilino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid
CID 122120144
(2S)-N-(3-bromophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461290
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010
(2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494784
N-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692744
N-(3-bromophenyl)-2-hydroxypropanamide
CID 82130318
N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879345
2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide
CID 65226098
N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 24506793
2-bromo-N-(3-bromophenyl)-3-methylbutanamide
CID 24698066
N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60692729
3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 52910304

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide?
The IUPAC name of N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide (CID 110880847) is N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide?
The canonical SMILES for N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide is CC(C(=O)Nc1cccc(Br)c1)N(C)CCO.
What is the InChIKey of N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide?
The InChIKey is YGMIKBBNUFFFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-9(15(2)6-7-16)12(17)14-11-5-3-4-10(13)8-11/h3-5,8-9,16H,6-7H2,1-2H3,(H,14,17).
What are the key properties of N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide?
N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide has a molecular weight of 301.18 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide is sourced from PubChem (CID 110880847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).