N-(4-bromophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide

C12H17BrN2O4 — CID 107852682

IUPACN-(4-bromophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide
SMILESO=C(CNC(CO)(CO)CO)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O4/c13-9-1-3-10(4-2-9)15-11(19)5-14-12(6-16,7-17)8-18/h1-4,14,16-18H,5-8H2,(H,15,19)
InChIKeyYIXJHOQKEQUTPV-UHFFFAOYSA-N
MW333.18 g/mol
LogP-0.31
Rot. Bonds7

About N-(4-bromophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide

N-(4-bromophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide (PubChem CID 107852682) has the molecular formula C12H17BrN2O4 and a molecular weight of 333.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide
PubChem CID107852682
Molecular FormulaC12H17BrN2O4
Molecular Weight333.18 g/mol
Exact Mass332.04
IUPAC NameN-(4-bromophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide
SMILESO=C(CNC(CO)(CO)CO)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O4/c13-9-1-3-10(4-2-9)15-11(19)5-14-12(6-16,7-17)8-18/h1-4,14,16-18H,5-8H2,(H,15,19)
InChIKeyYIXJHOQKEQUTPV-UHFFFAOYSA-N
XLogP-0.31
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 5-0.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze N-(4-bromophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide 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

N-(4-chlorophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide
CID 107852694
N-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide
CID 107865329
N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593
2-(3-ethylpentan-3-ylamino)-N-(4-methylphenyl)acetamide
CID 65039600
N-(4-bromophenyl)-2-[(1-ethylcyclobutyl)amino]acetamide
CID 113488714
[2-(4-bromoanilino)-2-oxoethyl]azanium
CID 4745313
2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7492486
N'-(4-bromophenyl)propanediamide
CID 15154636
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
N-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide
CID 103949825
N-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide
CID 83176951

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide (CID 107852682) is N-(4-bromophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide is O=C(CNC(CO)(CO)CO)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide?
The InChIKey is YIXJHOQKEQUTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O4/c13-9-1-3-10(4-2-9)15-11(19)5-14-12(6-16,7-17)8-18/h1-4,14,16-18H,5-8H2,(H,15,19).
What are the key properties of N-(4-bromophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide?
N-(4-bromophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide has a molecular weight of 333.18 g/mol, XLogP of -0.31, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide is sourced from PubChem (CID 107852682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).