N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-(tetrazol-1-yl)butanamide

C17H22FN5O — CID 118765556

IUPACN-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-(tetrazol-1-yl)butanamide
SMILESO=C(CCCn1cnnn1)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1
InChIInChI=1S/C17H22FN5O/c18-15-8-6-13(7-9-15)11-14-3-1-4-16(14)20-17(24)5-2-10-23-12-19-21-22-23/h6-9,12,14,16H,1-5,10-11H2,(H,20,24)/t14-,16-/m0/s1
InChIKeyUXBNKCGHJGZFMS-HOCLYGCPSA-N
MW331.40 g/mol
LogP2.12
Rot. Bonds7

About N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-(tetrazol-1-yl)butanamide

N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-(tetrazol-1-yl)butanamide (PubChem CID 118765556) has the molecular formula C17H22FN5O and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-(tetrazol-1-yl)butanamide
PubChem CID118765556
Molecular FormulaC17H22FN5O
Molecular Weight331.40 g/mol
Exact Mass331.18
IUPAC NameN-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-(tetrazol-1-yl)butanamide
SMILESO=C(CCCn1cnnn1)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1
InChIInChI=1S/C17H22FN5O/c18-15-8-6-13(7-9-15)11-14-3-1-4-16(14)20-17(24)5-2-10-23-12-19-21-22-23/h6-9,12,14,16H,1-5,10-11H2,(H,20,24)/t14-,16-/m0/s1
InChIKeyUXBNKCGHJGZFMS-HOCLYGCPSA-N
XLogP2.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide
CID 156607773
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]acetamide
CID 90653375
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-(tetrazol-1-yl)butanamide
CID 125431910
N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 118769991
4-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,2,4-triazole
CID 50976224
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide
CID 125442193
1-ethyl-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-oxopyridine-4-carboxamide
CID 118762484
N-[4-(4-fluorophenyl)phenyl]-3-(tetrazol-1-yl)propanamide
CID 46972210
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(tetrazol-1-yl)butanamide
CID 118782252
2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118773357
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 70711037
N-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 95298751

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-(tetrazol-1-yl)butanamide?
The IUPAC name of N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-(tetrazol-1-yl)butanamide (CID 118765556) is N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-(tetrazol-1-yl)butanamide is O=C(CCCn1cnnn1)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1.
What is the InChIKey of N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-(tetrazol-1-yl)butanamide?
The InChIKey is UXBNKCGHJGZFMS-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H22FN5O/c18-15-8-6-13(7-9-15)11-14-3-1-4-16(14)20-17(24)5-2-10-23-12-19-21-22-23/h6-9,12,14,16H,1-5,10-11H2,(H,20,24)/t14-,16-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-(tetrazol-1-yl)butanamide?
N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-(tetrazol-1-yl)butanamide has a molecular weight of 331.40 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 118765556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).