N-[(2-chlorophenyl)methyl]-1-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]cyclopent-3-ene-1-carboxamide

C23H24ClN5O — CID 59738311

IUPACN-[(2-chlorophenyl)methyl]-1-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]cyclopent-3-ene-1-carboxamide
SMILESCCc1ccc(-c2nnn(CC3(C(=O)NCc4ccccc4Cl)CC=CC3)n2)cc1
InChIInChI=1S/C23H24ClN5O/c1-2-17-9-11-18(12-10-17)21-26-28-29(27-21)16-23(13-5-6-14-23)22(30)25-15-19-7-3-4-8-20(19)24/h3-12H,2,13-16H2,1H3,(H,25,30)
InChIKeySEAPXUQGNHWLRE-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.21
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-1-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]cyclopent-3-ene-1-carboxamide

N-[(2-chlorophenyl)methyl]-1-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]cyclopent-3-ene-1-carboxamide (PubChem CID 59738311) has the molecular formula C23H24ClN5O and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]cyclopent-3-ene-1-carboxamide
PubChem CID59738311
Molecular FormulaC23H24ClN5O
Molecular Weight421.93 g/mol
Exact Mass421.17
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]cyclopent-3-ene-1-carboxamide
SMILESCCc1ccc(-c2nnn(CC3(C(=O)NCc4ccccc4Cl)CC=CC3)n2)cc1
InChIInChI=1S/C23H24ClN5O/c1-2-17-9-11-18(12-10-17)21-26-28-29(27-21)16-23(13-5-6-14-23)22(30)25-15-19-7-3-4-8-20(19)24/h3-12H,2,13-16H2,1H3,(H,25,30)
InChIKeySEAPXUQGNHWLRE-UHFFFAOYSA-N
XLogP4.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-[5-[4-(hydroxymethyl)phenyl]tetrazol-2-yl]-2,2-dimethylpropanamide
CID 59738300
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-3-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
CID 59738283
1-[3-amino-2-(4-ethylphenyl)-3-oxopropyl]-N-[(2-chlorophenyl)methyl]cyclopropane-1-carboxamide
CID 140526672
N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63127175
2-N-[(2-chlorophenyl)methyl]-6-N-(4-ethylphenyl)pyridine-2,6-dicarboxamide
CID 109097909
methyl 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate
CID 647427
N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide
CID 108998040
(E)-N-[(2-chlorophenyl)methyl]-3-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-2-methylprop-2-enamide
CID 70670462
1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133587
2-[1-(2-aminoacetyl)-4-[(2-chlorophenyl)methylcarbamoyl]piperidin-4-yl]ethyl N-(4-ethylphenyl)carbamate
CID 59778578
1-(aminomethyl)-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 81484979
[4-[(2-chlorophenyl)methylcarbamoyl]-1-(pyridine-3-carbonyl)piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate
CID 59778503

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]cyclopent-3-ene-1-carboxamide (CID 59738311) is N-[(2-chlorophenyl)methyl]-1-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]cyclopent-3-ene-1-carboxamide is CCc1ccc(-c2nnn(CC3(C(=O)NCc4ccccc4Cl)CC=CC3)n2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is SEAPXUQGNHWLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O/c1-2-17-9-11-18(12-10-17)21-26-28-29(27-21)16-23(13-5-6-14-23)22(30)25-15-19-7-3-4-8-20(19)24/h3-12H,2,13-16H2,1H3,(H,25,30).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]cyclopent-3-ene-1-carboxamide?
N-[(2-chlorophenyl)methyl]-1-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 421.93 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 59738311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).