(2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide

C21H20ClN3O3 — CID 25406380

IUPAC(2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide
SMILESCc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1
InChIInChI=1S/C21H20ClN3O3/c1-13-12-16(22)6-9-18(13)28-14(2)21(27)24-17-7-4-15(5-8-17)19(26)20-23-10-11-25(20)3/h4-12,14H,1-3H3,(H,24,27)/t14-/m0/s1
InChIKeyYKGCHWSHKBECIA-AWEZNQCLSA-N
MW397.86 g/mol
LogP4.02
Rot. Bonds6

About (2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide

(2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide (PubChem CID 25406380) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is (2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide
PubChem CID25406380
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name(2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide
SMILESCc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1
InChIInChI=1S/C21H20ClN3O3/c1-13-12-16(22)6-9-18(13)28-14(2)21(27)24-17-7-4-15(5-8-17)19(26)20-23-10-11-25(20)3/h4-12,14H,1-3H3,(H,24,27)/t14-/m0/s1
InChIKeyYKGCHWSHKBECIA-AWEZNQCLSA-N
XLogP4.02
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide 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-(2-bromo-4-chlorophenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide
CID 24664550
methyl 4-[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]benzoate
CID 723990
(2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide
CID 38112522
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 2932686
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063
2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 112764343
N-[1-[4-[2-(4-chloro-2-methylphenoxy)propanoylamino]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 4113507
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
(2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 25336134
(2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide
CID 55942671
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1294665

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide (CID 25406380) is (2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide is Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1.
What is the InChIKey of (2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide?
The InChIKey is YKGCHWSHKBECIA-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-13-12-16(22)6-9-18(13)28-14(2)21(27)24-17-7-4-15(5-8-17)19(26)20-23-10-11-25(20)3/h4-12,14H,1-3H3,(H,24,27)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide?
(2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide has a molecular weight of 397.86 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide is sourced from PubChem (CID 25406380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).