3-chloro-N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

C21H21ClN6O2 — CID 3192841

IUPAC3-chloro-N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
SMILESO=C(Cn1nnc(-c2ccccc2NC(=O)c2cccc(Cl)c2)n1)NC1CCCC1
InChIInChI=1S/C21H21ClN6O2/c22-15-7-5-6-14(12-15)21(30)24-18-11-4-3-10-17(18)20-25-27-28(26-20)13-19(29)23-16-8-1-2-9-16/h3-7,10-12,16H,1-2,8-9,13H2,(H,23,29)(H,24,30)
InChIKeyCIGUMKLVFXSQQS-UHFFFAOYSA-N
MW424.89 g/mol
LogP3.30
Rot. Bonds6

About 3-chloro-N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

3-chloro-N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (PubChem CID 3192841) has the molecular formula C21H21ClN6O2 and a molecular weight of 424.89 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
PubChem CID3192841
Molecular FormulaC21H21ClN6O2
Molecular Weight424.89 g/mol
Exact Mass424.14
IUPAC Name3-chloro-N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
SMILESO=C(Cn1nnc(-c2ccccc2NC(=O)c2cccc(Cl)c2)n1)NC1CCCC1
InChIInChI=1S/C21H21ClN6O2/c22-15-7-5-6-14(12-15)21(30)24-18-11-4-3-10-17(18)20-25-27-28(26-20)13-19(29)23-16-8-1-2-9-16/h3-7,10-12,16H,1-2,8-9,13H2,(H,23,29)(H,24,30)
InChIKeyCIGUMKLVFXSQQS-UHFFFAOYSA-N
XLogP3.30
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (CID 3192841) is 3-chloro-N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is O=C(Cn1nnc(-c2ccccc2NC(=O)c2cccc(Cl)c2)n1)NC1CCCC1.
What is the InChIKey of 3-chloro-N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The InChIKey is CIGUMKLVFXSQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O2/c22-15-7-5-6-14(12-15)21(30)24-18-11-4-3-10-17(18)20-25-27-28(26-20)13-19(29)23-16-8-1-2-9-16/h3-7,10-12,16H,1-2,8-9,13H2,(H,23,29)(H,24,30).
What are the key properties of 3-chloro-N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
3-chloro-N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide has a molecular weight of 424.89 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 3192841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).