N-(2-chlorophenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide

C19H20ClN5O2 — CID 53180129

IUPACN-(2-chlorophenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc2c(c1)nnn2CCN1CCOCC1
InChIInChI=1S/C19H20ClN5O2/c20-15-3-1-2-4-16(15)21-19(26)14-5-6-18-17(13-14)22-23-25(18)8-7-24-9-11-27-12-10-24/h1-6,13H,7-12H2,(H,21,26)
InChIKeyGJDIVHNIJFCDRR-UHFFFAOYSA-N
MW385.86 g/mol
LogP2.67
Rot. Bonds5

About N-(2-chlorophenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide

N-(2-chlorophenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide (PubChem CID 53180129) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide
PubChem CID53180129
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC NameN-(2-chlorophenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc2c(c1)nnn2CCN1CCOCC1
InChIInChI=1S/C19H20ClN5O2/c20-15-3-1-2-4-16(15)21-19(26)14-5-6-18-17(13-14)22-23-25(18)8-7-24-9-11-27-12-10-24/h1-6,13H,7-12H2,(H,21,26)
InChIKeyGJDIVHNIJFCDRR-UHFFFAOYSA-N
XLogP2.67
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide
CID 53180108
N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051721
1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
N-(2-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064382
1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
CID 26727322
1-(2-chlorophenyl)-3-[2-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)ethyl]urea
CID 53110849
N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99955558
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996052
N-(2-chlorophenyl)-1-methylindole-5-carboxamide
CID 112520448
3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374
N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide
CID 47014537

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide (CID 53180129) is N-(2-chlorophenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide is O=C(Nc1ccccc1Cl)c1ccc2c(c1)nnn2CCN1CCOCC1.
What is the InChIKey of N-(2-chlorophenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide?
The InChIKey is GJDIVHNIJFCDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c20-15-3-1-2-4-16(15)21-19(26)14-5-6-18-17(13-14)22-23-25(18)8-7-24-9-11-27-12-10-24/h1-6,13H,7-12H2,(H,21,26).
What are the key properties of N-(2-chlorophenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide?
N-(2-chlorophenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide has a molecular weight of 385.86 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(2-morpholin-4-ylethyl)benzotriazole-5-carboxamide is sourced from PubChem (CID 53180129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).