4-(2-aminoethyl)-N-(2,1,3-benzoxadiazol-5-yl)benzamide

C15H14N4O2 — CID 172894686

IUPAC4-(2-aminoethyl)-N-(2,1,3-benzoxadiazol-5-yl)benzamide
SMILESNCCc1ccc(C(=O)Nc2ccc3nonc3c2)cc1
InChIInChI=1S/C15H14N4O2/c16-8-7-10-1-3-11(4-2-10)15(20)17-12-5-6-13-14(9-12)19-21-18-13/h1-6,9H,7-8,16H2,(H,17,20)
InChIKeyITZFACGMZXNQFW-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.98
Rot. Bonds4

About 4-(2-aminoethyl)-N-(2,1,3-benzoxadiazol-5-yl)benzamide

4-(2-aminoethyl)-N-(2,1,3-benzoxadiazol-5-yl)benzamide (PubChem CID 172894686) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2,1,3-benzoxadiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2,1,3-benzoxadiazol-5-yl)benzamide
PubChem CID172894686
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-(2-aminoethyl)-N-(2,1,3-benzoxadiazol-5-yl)benzamide
SMILESNCCc1ccc(C(=O)Nc2ccc3nonc3c2)cc1
InChIInChI=1S/C15H14N4O2/c16-8-7-10-1-3-11(4-2-10)15(20)17-12-5-6-13-14(9-12)19-21-18-13/h1-6,9H,7-8,16H2,(H,17,20)
InChIKeyITZFACGMZXNQFW-UHFFFAOYSA-N
XLogP1.98
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
1,3-bis(2,1,3-benzoxadiazol-5-yl)urea
CID 69090481
2,1,3-benzoxadiazole-5-carbohydrazide
CID 2735455
4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide
CID 170362896
1-N-[4-(2-aminoethyl)phenyl]-4-N-[4-[2-(diformylamino)ethyl]phenyl]benzene-1,4-dicarboxamide
CID 169262539
N-[(4-pentylphenyl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 21041859
N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104785334
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 65468967
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
N-[4-(2-aminoethyl)phenyl]-4-(2,5-dihydro-1H-pyrrol-3-yl)benzamide
CID 165118789

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2,1,3-benzoxadiazol-5-yl)benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-(2,1,3-benzoxadiazol-5-yl)benzamide (CID 172894686) is 4-(2-aminoethyl)-N-(2,1,3-benzoxadiazol-5-yl)benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2,1,3-benzoxadiazol-5-yl)benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(2,1,3-benzoxadiazol-5-yl)benzamide is NCCc1ccc(C(=O)Nc2ccc3nonc3c2)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-(2,1,3-benzoxadiazol-5-yl)benzamide?
The InChIKey is ITZFACGMZXNQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-8-7-10-1-3-11(4-2-10)15(20)17-12-5-6-13-14(9-12)19-21-18-13/h1-6,9H,7-8,16H2,(H,17,20).
What are the key properties of 4-(2-aminoethyl)-N-(2,1,3-benzoxadiazol-5-yl)benzamide?
4-(2-aminoethyl)-N-(2,1,3-benzoxadiazol-5-yl)benzamide has a molecular weight of 282.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(2,1,3-benzoxadiazol-5-yl)benzamide is sourced from PubChem (CID 172894686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).