N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]acetamide

C19H18ClN5O2 — CID 126821700

IUPACN-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]acetamide
SMILESCOc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)cc1
InChIInChI=1S/C19H18ClN5O2/c1-27-15-5-2-12(3-6-15)16-8-13(16)9-19(26)22-18-10-14(4-7-17(18)20)25-11-21-23-24-25/h2-7,10-11,13,16H,8-9H2,1H3,(H,22,26)/t13-,16-/m0/s1
InChIKeySZWNUXLXWHLWMX-BBRMVZONSA-N
MW383.84 g/mol
LogP3.46
Rot. Bonds6

About N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]acetamide

N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]acetamide (PubChem CID 126821700) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]acetamide
PubChem CID126821700
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC NameN-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]acetamide
SMILESCOc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)cc1
InChIInChI=1S/C19H18ClN5O2/c1-27-15-5-2-12(3-6-15)16-8-13(16)9-19(26)22-18-10-14(4-7-17(18)20)25-11-21-23-24-25/h2-7,10-11,13,16H,8-9H2,1H3,(H,22,26)/t13-,16-/m0/s1
InChIKeySZWNUXLXWHLWMX-BBRMVZONSA-N
XLogP3.46
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]acetamide?
The IUPAC name of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]acetamide (CID 126821700) is N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]acetamide?
The canonical SMILES for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]acetamide is COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)cc1.
What is the InChIKey of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]acetamide?
The InChIKey is SZWNUXLXWHLWMX-BBRMVZONSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-27-15-5-2-12(3-6-15)16-8-13(16)9-19(26)22-18-10-14(4-7-17(18)20)25-11-21-23-24-25/h2-7,10-11,13,16H,8-9H2,1H3,(H,22,26)/t13-,16-/m0/s1.
What are the key properties of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]acetamide?
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]acetamide has a molecular weight of 383.84 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]acetamide is sourced from PubChem (CID 126821700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).