2-(2,4-dichlorophenoxy)-N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide

C23H20Cl2N4O2 — CID 5032493

IUPAC2-(2,4-dichlorophenoxy)-N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide
SMILESCCc1ccc(-n2nc3ccc(NC(=O)C(C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1
InChIInChI=1S/C23H20Cl2N4O2/c1-3-15-4-8-18(9-5-15)29-27-20-10-7-17(13-21(20)28-29)26-23(30)14(2)31-22-11-6-16(24)12-19(22)25/h4-14H,3H2,1-2H3,(H,26,30)
InChIKeySLPVROQNQJXUGD-UHFFFAOYSA-N
MW455.35 g/mol
LogP5.70
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide

2-(2,4-dichlorophenoxy)-N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide (PubChem CID 5032493) has the molecular formula C23H20Cl2N4O2 and a molecular weight of 455.35 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide
PubChem CID5032493
Molecular FormulaC23H20Cl2N4O2
Molecular Weight455.35 g/mol
Exact Mass454.10
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide
SMILESCCc1ccc(-n2nc3ccc(NC(=O)C(C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1
InChIInChI=1S/C23H20Cl2N4O2/c1-3-15-4-8-18(9-5-15)29-27-20-10-7-17(13-21(20)28-29)26-23(30)14(2)31-22-11-6-16(24)12-19(22)25/h4-14H,3H2,1-2H3,(H,26,30)
InChIKeySLPVROQNQJXUGD-UHFFFAOYSA-N
XLogP5.70
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.35
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]propanamide
CID 5124956
(2S)-2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide
CID 29093871
(2R)-2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]propanamide
CID 29093832
N-[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]-2-(2,4-dichlorophenoxy)propanamide
CID 5175544
(2R)-2-(2,4-dichlorophenoxy)-N-(3-ethylphenyl)propanamide
CID 874427
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7872819
2-(2,4-dichlorophenoxy)-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide
CID 3890151
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
3,5-dichloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-methoxybenzamide
CID 17111009
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide (CID 5032493) is 2-(2,4-dichlorophenoxy)-N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide is CCc1ccc(-n2nc3ccc(NC(=O)C(C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide?
The InChIKey is SLPVROQNQJXUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O2/c1-3-15-4-8-18(9-5-15)29-27-20-10-7-17(13-21(20)28-29)26-23(30)14(2)31-22-11-6-16(24)12-19(22)25/h4-14H,3H2,1-2H3,(H,26,30).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide?
2-(2,4-dichlorophenoxy)-N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide has a molecular weight of 455.35 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide is sourced from PubChem (CID 5032493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).