N-[3-[[[4-(tetrazol-1-yl)benzoyl]amino]carbamoyl]phenyl]acetamide

C17H15N7O3 — CID 4847938

IUPACN-[3-[[[4-(tetrazol-1-yl)benzoyl]amino]carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1
InChIInChI=1S/C17H15N7O3/c1-11(25)19-14-4-2-3-13(9-14)17(27)21-20-16(26)12-5-7-15(8-6-12)24-10-18-22-23-24/h2-10H,1H3,(H,19,25)(H,20,26)(H,21,27)
InChIKeyWWXSVJARDJGIJH-UHFFFAOYSA-N
MW365.35 g/mol
LogP0.70
Rot. Bonds4

About N-[3-[[[4-(tetrazol-1-yl)benzoyl]amino]carbamoyl]phenyl]acetamide

N-[3-[[[4-(tetrazol-1-yl)benzoyl]amino]carbamoyl]phenyl]acetamide (PubChem CID 4847938) has the molecular formula C17H15N7O3 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-[3-[[[4-(tetrazol-1-yl)benzoyl]amino]carbamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[[4-(tetrazol-1-yl)benzoyl]amino]carbamoyl]phenyl]acetamide
PubChem CID4847938
Molecular FormulaC17H15N7O3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC NameN-[3-[[[4-(tetrazol-1-yl)benzoyl]amino]carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1
InChIInChI=1S/C17H15N7O3/c1-11(25)19-14-4-2-3-13(9-14)17(27)21-20-16(26)12-5-7-15(8-6-12)24-10-18-22-23-24/h2-10H,1H3,(H,19,25)(H,20,26)(H,21,27)
InChIKeyWWXSVJARDJGIJH-UHFFFAOYSA-N
XLogP0.70
TPSA130.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[[4-(tetrazol-1-yl)benzoyl]amino]carbamoyl]phenyl]acetamide?
The IUPAC name of N-[3-[[[4-(tetrazol-1-yl)benzoyl]amino]carbamoyl]phenyl]acetamide (CID 4847938) is N-[3-[[[4-(tetrazol-1-yl)benzoyl]amino]carbamoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[[4-(tetrazol-1-yl)benzoyl]amino]carbamoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[[4-(tetrazol-1-yl)benzoyl]amino]carbamoyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1.
What is the InChIKey of N-[3-[[[4-(tetrazol-1-yl)benzoyl]amino]carbamoyl]phenyl]acetamide?
The InChIKey is WWXSVJARDJGIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O3/c1-11(25)19-14-4-2-3-13(9-14)17(27)21-20-16(26)12-5-7-15(8-6-12)24-10-18-22-23-24/h2-10H,1H3,(H,19,25)(H,20,26)(H,21,27).
What are the key properties of N-[3-[[[4-(tetrazol-1-yl)benzoyl]amino]carbamoyl]phenyl]acetamide?
N-[3-[[[4-(tetrazol-1-yl)benzoyl]amino]carbamoyl]phenyl]acetamide has a molecular weight of 365.35 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[4-(tetrazol-1-yl)benzoyl]amino]carbamoyl]phenyl]acetamide is sourced from PubChem (CID 4847938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).