N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C18H17ClN4O2 — CID 134053912

IUPACN-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C18H17ClN4O2/c1-12(13-6-5-7-14(19)10-13)22(2)17(24)11-23-18(25)15-8-3-4-9-16(15)20-21-23/h3-10,12H,11H2,1-2H3
InChIKeyAMRCURXXMLUFKA-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.66
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 134053912) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID134053912
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C18H17ClN4O2/c1-12(13-6-5-7-14(19)10-13)22(2)17(24)11-23-18(25)15-8-3-4-9-16(15)20-21-23/h3-10,12H,11H2,1-2H3
InChIKeyAMRCURXXMLUFKA-UHFFFAOYSA-N
XLogP2.66
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 86829861
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 27795536
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2714528
N-cyclopropyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 55594692
N-[1-(4-chlorophenyl)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24600817
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879212
3-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714491
N-[(2S)-5-methylhexan-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879393
N-cyclopropyl-N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 39533398
N-(5-methylhexan-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 78812534
3-[[(4-chlorophenyl)-phenylmethyl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 4850740
2-(benzotriazol-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8025608

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 134053912) is N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is CC(c1cccc(Cl)c1)N(C)C(=O)Cn1nnc2ccccc2c1=O.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is AMRCURXXMLUFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-12(13-6-5-7-14(19)10-13)22(2)17(24)11-23-18(25)15-8-3-4-9-16(15)20-21-23/h3-10,12H,11H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 356.81 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 134053912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).