(2S)-2-(3-bromophenyl)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]acetamide

C16H16BrClN4O2 — CID 96998138

IUPAC(2S)-2-(3-bromophenyl)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]acetamide
SMILESCN(CC(=O)N[C@H](C(N)=O)c1cccc(Br)c1)c1ccc(Cl)cn1
InChIInChI=1S/C16H16BrClN4O2/c1-22(13-6-5-12(18)8-20-13)9-14(23)21-15(16(19)24)10-3-2-4-11(17)7-10/h2-8,15H,9H2,1H3,(H2,19,24)(H,21,23)/t15-/m0/s1
InChIKeyOMRJEISCJUPAGZ-HNNXBMFYSA-N
MW411.69 g/mol
LogP2.28
Rot. Bonds6

About (2S)-2-(3-bromophenyl)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]acetamide

(2S)-2-(3-bromophenyl)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]acetamide (PubChem CID 96998138) has the molecular formula C16H16BrClN4O2 and a molecular weight of 411.69 g/mol. Its IUPAC name is (2S)-2-(3-bromophenyl)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]acetamide.

Molecular Properties

Compound Name(2S)-2-(3-bromophenyl)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]acetamide
PubChem CID96998138
Molecular FormulaC16H16BrClN4O2
Molecular Weight411.69 g/mol
Exact Mass410.01
IUPAC Name(2S)-2-(3-bromophenyl)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]acetamide
SMILESCN(CC(=O)N[C@H](C(N)=O)c1cccc(Br)c1)c1ccc(Cl)cn1
InChIInChI=1S/C16H16BrClN4O2/c1-22(13-6-5-12(18)8-20-13)9-14(23)21-15(16(19)24)10-3-2-4-11(17)7-10/h2-8,15H,9H2,1H3,(H2,19,24)(H,21,23)/t15-/m0/s1
InChIKeyOMRJEISCJUPAGZ-HNNXBMFYSA-N
XLogP2.28
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.69
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(3-bromophenyl)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]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

(2R)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]pentanoic acid
CID 107563108
N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 95304362
2-[(5-chloro-2-pyridinyl)-methylamino]-N-[5-(diethylamino)pentan-2-yl]acetamide
CID 51108150
2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 55206707
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914456
2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide
CID 120987982
2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 94636058
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103755798
2-[(5-chloro-2-pyridinyl)-methylamino]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 61343893
2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64868265
N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,6-dichloropyridine-2-carboxamide
CID 71882048
2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 115773860

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromophenyl)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]acetamide?
The IUPAC name of (2S)-2-(3-bromophenyl)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]acetamide (CID 96998138) is (2S)-2-(3-bromophenyl)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]acetamide.
What is the SMILES notation for (2S)-2-(3-bromophenyl)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]acetamide?
The canonical SMILES for (2S)-2-(3-bromophenyl)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]acetamide is CN(CC(=O)N[C@H](C(N)=O)c1cccc(Br)c1)c1ccc(Cl)cn1.
What is the InChIKey of (2S)-2-(3-bromophenyl)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]acetamide?
The InChIKey is OMRJEISCJUPAGZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16BrClN4O2/c1-22(13-6-5-12(18)8-20-13)9-14(23)21-15(16(19)24)10-3-2-4-11(17)7-10/h2-8,15H,9H2,1H3,(H2,19,24)(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-2-(3-bromophenyl)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]acetamide?
(2S)-2-(3-bromophenyl)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]acetamide has a molecular weight of 411.69 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromophenyl)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]acetamide is sourced from PubChem (CID 96998138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).