2-(4-bromo-2-methylanilino)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide

C14H19BrN2O3 — CID 100756470

IUPAC2-(4-bromo-2-methylanilino)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide
SMILESCc1cc(Br)ccc1NCC(=O)NC[C@@]1(O)CCOC1
InChIInChI=1S/C14H19BrN2O3/c1-10-6-11(15)2-3-12(10)16-7-13(18)17-8-14(19)4-5-20-9-14/h2-3,6,16,19H,4-5,7-9H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyAKIAFCFEZAKAMG-AWEZNQCLSA-N
MW343.22 g/mol
LogP1.44
Rot. Bonds5

About 2-(4-bromo-2-methylanilino)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide

2-(4-bromo-2-methylanilino)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide (PubChem CID 100756470) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-(4-bromo-2-methylanilino)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylanilino)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide
PubChem CID100756470
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name2-(4-bromo-2-methylanilino)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide
SMILESCc1cc(Br)ccc1NCC(=O)NC[C@@]1(O)CCOC1
InChIInChI=1S/C14H19BrN2O3/c1-10-6-11(15)2-3-12(10)16-7-13(18)17-8-14(19)4-5-20-9-14/h2-3,6,16,19H,4-5,7-9H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyAKIAFCFEZAKAMG-AWEZNQCLSA-N
XLogP1.44
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-2-methylanilino)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]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

2-(4-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 113337956
3-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]benzamide
CID 103848664
2,5-dibromo-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 104920466
3-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzamide
CID 103849475
1-(4-bromo-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437547
2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide
CID 28572367
N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 103849517
1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129397875
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
CID 129397872
5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
CID 113337983
3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103848868
2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 9106742

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylanilino)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-bromo-2-methylanilino)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide (CID 100756470) is 2-(4-bromo-2-methylanilino)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylanilino)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-methylanilino)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide is Cc1cc(Br)ccc1NCC(=O)NC[C@@]1(O)CCOC1.
What is the InChIKey of 2-(4-bromo-2-methylanilino)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide?
The InChIKey is AKIAFCFEZAKAMG-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-10-6-11(15)2-3-12(10)16-7-13(18)17-8-14(19)4-5-20-9-14/h2-3,6,16,19H,4-5,7-9H2,1H3,(H,17,18)/t14-/m0/s1.
What are the key properties of 2-(4-bromo-2-methylanilino)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide?
2-(4-bromo-2-methylanilino)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide has a molecular weight of 343.22 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylanilino)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 100756470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).