2-chloro-N-[2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide

C19H17ClN6O2 — CID 41182097

IUPAC2-chloro-N-[2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C19H17ClN6O2/c20-16-7-2-1-6-15(16)19(28)21-11-17(27)22-13-5-3-4-12(10-13)18-23-24-25-26(18)14-8-9-14/h1-7,10,14H,8-9,11H2,(H,21,28)(H,22,27)
InChIKeyPZOLCKVBONXIBC-UHFFFAOYSA-N
MW396.84 g/mol
LogP2.70
Rot. Bonds6

About 2-chloro-N-[2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide

2-chloro-N-[2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide (PubChem CID 41182097) has the molecular formula C19H17ClN6O2 and a molecular weight of 396.84 g/mol. Its IUPAC name is 2-chloro-N-[2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide
PubChem CID41182097
Molecular FormulaC19H17ClN6O2
Molecular Weight396.84 g/mol
Exact Mass396.11
IUPAC Name2-chloro-N-[2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C19H17ClN6O2/c20-16-7-2-1-6-15(16)19(28)21-11-17(27)22-13-5-3-4-12(10-13)18-23-24-25-26(18)14-8-9-14/h1-7,10,14H,8-9,11H2,(H,21,28)(H,22,27)
InChIKeyPZOLCKVBONXIBC-UHFFFAOYSA-N
XLogP2.70
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.84
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide (CID 41182097) is 2-chloro-N-[2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Cl)Nc1cccc(-c2nnnn2C2CC2)c1.
What is the InChIKey of 2-chloro-N-[2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide?
The InChIKey is PZOLCKVBONXIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O2/c20-16-7-2-1-6-15(16)19(28)21-11-17(27)22-13-5-3-4-12(10-13)18-23-24-25-26(18)14-8-9-14/h1-7,10,14H,8-9,11H2,(H,21,28)(H,22,27).
What are the key properties of 2-chloro-N-[2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide?
2-chloro-N-[2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide has a molecular weight of 396.84 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 41182097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).