4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide

C18H17ClN6O — CID 50776956

IUPAC4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1N1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN6O/c19-14-5-3-13(4-6-14)18(26)21-16-11-15(25-12-20-22-23-25)7-8-17(16)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10H2,(H,21,26)
InChIKeyZBGCUUROZRGRDY-UHFFFAOYSA-N
MW368.83 g/mol
LogP3.17
Rot. Bonds4

About 4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide

4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 50776956) has the molecular formula C18H17ClN6O and a molecular weight of 368.83 g/mol. Its IUPAC name is 4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
PubChem CID50776956
Molecular FormulaC18H17ClN6O
Molecular Weight368.83 g/mol
Exact Mass368.12
IUPAC Name4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1N1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN6O/c19-14-5-3-13(4-6-14)18(26)21-16-11-15(25-12-20-22-23-25)7-8-17(16)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10H2,(H,21,26)
InChIKeyZBGCUUROZRGRDY-UHFFFAOYSA-N
XLogP3.17
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50777019
3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776801
N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide
CID 50778527
4-methoxy-N-[2-morpholin-4-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776826
N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 50776994
3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide
CID 50777059
2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide
CID 50778531
N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 23149647
N-[2-chloro-5-(tetrazol-1-yl)phenyl]benzamide
CID 45492656
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 134044794
2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide
CID 50777039
4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1489362

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide (CID 50776956) is 4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide is O=C(Nc1cc(-n2cnnn2)ccc1N1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is ZBGCUUROZRGRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O/c19-14-5-3-13(4-6-14)18(26)21-16-11-15(25-12-20-22-23-25)7-8-17(16)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10H2,(H,21,26).
What are the key properties of 4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide?
4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 368.83 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 50776956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).