3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide

C18H25ClN6O — CID 71704289

IUPAC3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide
SMILESCCN1CCCC1CNC(=O)CC(Cn1cnnn1)c1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN6O/c1-2-24-9-3-4-17(24)11-20-18(26)10-15(12-25-13-21-22-23-25)14-5-7-16(19)8-6-14/h5-8,13,15,17H,2-4,9-12H2,1H3,(H,20,26)
InChIKeyJQCVSIYBRLFSLU-UHFFFAOYSA-N
MW376.89 g/mol
LogP2.10
Rot. Bonds8

About 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide

3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide (PubChem CID 71704289) has the molecular formula C18H25ClN6O and a molecular weight of 376.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide
PubChem CID71704289
Molecular FormulaC18H25ClN6O
Molecular Weight376.89 g/mol
Exact Mass376.18
IUPAC Name3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide
SMILESCCN1CCCC1CNC(=O)CC(Cn1cnnn1)c1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN6O/c1-2-24-9-3-4-17(24)11-20-18(26)10-15(12-25-13-21-22-23-25)14-5-7-16(19)8-6-14/h5-8,13,15,17H,2-4,9-12H2,1H3,(H,20,26)
InChIKeyJQCVSIYBRLFSLU-UHFFFAOYSA-N
XLogP2.10
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide
CID 71709425
3-(4-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(tetrazol-1-yl)butanamide
CID 71707100
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 24706556
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 97266729
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71709339
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119952665
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 25381201
3-phenyl-N-propan-2-yl-4-(tetrazol-1-yl)butanamide
CID 142768946
2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 94003929
(3R)-3-(4-chlorophenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-4-(tetrazol-1-yl)butan-1-one
CID 97266554
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 98790527

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide (CID 71704289) is 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide is CCN1CCCC1CNC(=O)CC(Cn1cnnn1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide?
The InChIKey is JQCVSIYBRLFSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN6O/c1-2-24-9-3-4-17(24)11-20-18(26)10-15(12-25-13-21-22-23-25)14-5-7-16(19)8-6-14/h5-8,13,15,17H,2-4,9-12H2,1H3,(H,20,26).
What are the key properties of 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide?
3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide has a molecular weight of 376.89 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 71704289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).