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

C22H18Cl2N4O3 — CID 29093832

IUPAC(2R)-2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]propanamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1
InChIInChI=1S/C22H18Cl2N4O3/c1-13(31-21-10-3-14(23)11-18(21)24)22(29)25-15-4-9-19-20(12-15)27-28(26-19)16-5-7-17(30-2)8-6-16/h3-13H,1-2H3,(H,25,29)/t13-/m1/s1
InChIKeyKVIOZAWRISCBQA-CYBMUJFWSA-N
MW457.32 g/mol
LogP5.14
Rot. Bonds6

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

(2R)-2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]propanamide (PubChem CID 29093832) has the molecular formula C22H18Cl2N4O3 and a molecular weight of 457.32 g/mol. Its IUPAC name is (2R)-2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]propanamide
PubChem CID29093832
Molecular FormulaC22H18Cl2N4O3
Molecular Weight457.32 g/mol
Exact Mass456.08
IUPAC Name(2R)-2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]propanamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1
InChIInChI=1S/C22H18Cl2N4O3/c1-13(31-21-10-3-14(23)11-18(21)24)22(29)25-15-4-9-19-20(12-15)27-28(26-19)16-5-7-17(30-2)8-6-16/h3-13H,1-2H3,(H,25,29)/t13-/m1/s1
InChIKeyKVIOZAWRISCBQA-CYBMUJFWSA-N
XLogP5.14
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.32
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide
CID 29093871
2-(2,4-dichlorophenoxy)-N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide
CID 5032493
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
2-(2,4-dichlorophenoxy)-N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]propanamide
CID 5124956
2-(2,4-dichlorophenoxy)-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide
CID 3890151
2-(2,4-dichlorophenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17092674
2-(2,4-dichlorophenoxy)-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 4005269
(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467
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
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 925231
2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42989366

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]propanamide?
The IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]propanamide (CID 29093832) is (2R)-2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]propanamide.
What is the SMILES notation for (2R)-2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]propanamide?
The canonical SMILES for (2R)-2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]propanamide is COc1ccc(-n2nc3ccc(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1.
What is the InChIKey of (2R)-2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]propanamide?
The InChIKey is KVIOZAWRISCBQA-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H18Cl2N4O3/c1-13(31-21-10-3-14(23)11-18(21)24)22(29)25-15-4-9-19-20(12-15)27-28(26-19)16-5-7-17(30-2)8-6-16/h3-13H,1-2H3,(H,25,29)/t13-/m1/s1.
What are the key properties of (2R)-2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]propanamide?
(2R)-2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]propanamide has a molecular weight of 457.32 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]propanamide is sourced from PubChem (CID 29093832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).