N-(3-chloro-4-cyclopentyloxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

C21H21ClN4O3 — CID 60574757

IUPACN-(3-chloro-4-cyclopentyloxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESO=C(CCn1nnc2ccccc2c1=O)Nc1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C21H21ClN4O3/c22-17-13-14(9-10-19(17)29-15-5-1-2-6-15)23-20(27)11-12-26-21(28)16-7-3-4-8-18(16)24-25-26/h3-4,7-10,13,15H,1-2,5-6,11-12H2,(H,23,27)
InChIKeyGVZSIUPEGUQOCD-UHFFFAOYSA-N
MW412.88 g/mol
LogP3.80
Rot. Bonds6

About N-(3-chloro-4-cyclopentyloxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

N-(3-chloro-4-cyclopentyloxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 60574757) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is N-(3-chloro-4-cyclopentyloxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyclopentyloxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
PubChem CID60574757
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC NameN-(3-chloro-4-cyclopentyloxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESO=C(CCn1nnc2ccccc2c1=O)Nc1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C21H21ClN4O3/c22-17-13-14(9-10-19(17)29-15-5-1-2-6-15)23-20(27)11-12-26-21(28)16-7-3-4-8-18(16)24-25-26/h3-4,7-10,13,15H,1-2,5-6,11-12H2,(H,23,27)
InChIKeyGVZSIUPEGUQOCD-UHFFFAOYSA-N
XLogP3.80
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4905024
N-(4-anilinophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 29265855
N-(3,5-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4907081
N-(2,4-dichlorophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4905507
N-(5-bromonaphthalen-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 146022046
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4903059
N-(2-chloro-4-fluorophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34803882
ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate
CID 4901992
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38034792
(2-chlorophenyl) 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate
CID 34802734
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2550571
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyclopentyloxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The IUPAC name of N-(3-chloro-4-cyclopentyloxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 60574757) is N-(3-chloro-4-cyclopentyloxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
What is the SMILES notation for N-(3-chloro-4-cyclopentyloxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The canonical SMILES for N-(3-chloro-4-cyclopentyloxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is O=C(CCn1nnc2ccccc2c1=O)Nc1ccc(OC2CCCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-cyclopentyloxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The InChIKey is GVZSIUPEGUQOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c22-17-13-14(9-10-19(17)29-15-5-1-2-6-15)23-20(27)11-12-26-21(28)16-7-3-4-8-18(16)24-25-26/h3-4,7-10,13,15H,1-2,5-6,11-12H2,(H,23,27).
What are the key properties of N-(3-chloro-4-cyclopentyloxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
N-(3-chloro-4-cyclopentyloxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has a molecular weight of 412.88 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyclopentyloxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 60574757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).