N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,2,2-trifluoroacetamide

C15H10ClF3N4O2 — CID 17334916

IUPACN-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)C(F)(F)F)cc3n2)cc1Cl
InChIInChI=1S/C15H10ClF3N4O2/c1-25-13-5-3-9(7-10(13)16)23-21-11-4-2-8(6-12(11)22-23)20-14(24)15(17,18)19/h2-7H,1H3,(H,20,24)
InChIKeyKKEXOFBDKCYOSG-UHFFFAOYSA-N
MW370.72 g/mol
LogP3.58
Rot. Bonds3

About N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,2,2-trifluoroacetamide

N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,2,2-trifluoroacetamide (PubChem CID 17334916) has the molecular formula C15H10ClF3N4O2 and a molecular weight of 370.72 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,2,2-trifluoroacetamide
PubChem CID17334916
Molecular FormulaC15H10ClF3N4O2
Molecular Weight370.72 g/mol
Exact Mass370.04
IUPAC NameN-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)C(F)(F)F)cc3n2)cc1Cl
InChIInChI=1S/C15H10ClF3N4O2/c1-25-13-5-3-9(7-10(13)16)23-21-11-4-2-8(6-12(11)22-23)20-14(24)15(17,18)19/h2-7H,1H3,(H,20,24)
InChIKeyKKEXOFBDKCYOSG-UHFFFAOYSA-N
XLogP3.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 741095
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CID 876205
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CID 759619
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CID 1091853
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CID 16495618
CID 16495618
CID 2235813
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CID 1221611
CID 1221611
CID 784272
CID 784272
CID 1280362
CID 1280362
CID 1364464
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CID 141419775
CID 141419775
CID 744690
CID 744690

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,2,2-trifluoroacetamide (CID 17334916) is N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,2,2-trifluoroacetamide is COc1ccc(-n2nc3ccc(NC(=O)C(F)(F)F)cc3n2)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,2,2-trifluoroacetamide?
The InChIKey is KKEXOFBDKCYOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O2/c1-25-13-5-3-9(7-10(13)16)23-21-11-4-2-8(6-12(11)22-23)20-14(24)15(17,18)19/h2-7H,1H3,(H,20,24).
What are the key properties of N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,2,2-trifluoroacetamide?
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,2,2-trifluoroacetamide has a molecular weight of 370.72 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 17334916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).