2-(2,4-dichlorophenoxy)-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide

C23H20Cl2N4O2 — CID 3890151

IUPAC2-(2,4-dichlorophenoxy)-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide
SMILESCc1ccc(-n2nc3cc(C)c(NC(=O)C(C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1
InChIInChI=1S/C23H20Cl2N4O2/c1-13-4-7-17(8-5-13)29-27-20-10-14(2)19(12-21(20)28-29)26-23(30)15(3)31-22-9-6-16(24)11-18(22)25/h4-12,15H,1-3H3,(H,26,30)
InChIKeyQQHDCKYXJCYIQC-UHFFFAOYSA-N
MW455.35 g/mol
LogP5.75
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide

2-(2,4-dichlorophenoxy)-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide (PubChem CID 3890151) has the molecular formula C23H20Cl2N4O2 and a molecular weight of 455.35 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide
PubChem CID3890151
Molecular FormulaC23H20Cl2N4O2
Molecular Weight455.35 g/mol
Exact Mass454.10
IUPAC Name2-(2,4-dichlorophenoxy)-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide
SMILESCc1ccc(-n2nc3cc(C)c(NC(=O)C(C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1
InChIInChI=1S/C23H20Cl2N4O2/c1-13-4-7-17(8-5-13)29-27-20-10-14(2)19(12-21(20)28-29)26-23(30)15(3)31-22-9-6-16(24)11-18(22)25/h4-12,15H,1-3H3,(H,26,30)
InChIKeyQQHDCKYXJCYIQC-UHFFFAOYSA-N
XLogP5.75
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.35
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]-2-(2,4-dichlorophenoxy)propanamide
CID 5175544
(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
2-(2,4-dichlorophenoxy)-N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide
CID 5032493
(2R)-2-(2,4-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2083484
N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 134019274
N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 46770459
(2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 6922800
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethylbenzamide
CID 19630185
2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084
4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid
CID 2943352
methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate
CID 2122611

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide (CID 3890151) is 2-(2,4-dichlorophenoxy)-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide is Cc1ccc(-n2nc3cc(C)c(NC(=O)C(C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide?
The InChIKey is QQHDCKYXJCYIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O2/c1-13-4-7-17(8-5-13)29-27-20-10-14(2)19(12-21(20)28-29)26-23(30)15(3)31-22-9-6-16(24)11-18(22)25/h4-12,15H,1-3H3,(H,26,30).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide?
2-(2,4-dichlorophenoxy)-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide has a molecular weight of 455.35 g/mol, XLogP of 5.75, 5 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-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide is sourced from PubChem (CID 3890151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).