N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-(tetrazol-1-yl)propanamide

C16H20FN5O — CID 122556371

IUPACN-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)NCC1(c2ccccc2F)CCCC1
InChIInChI=1S/C16H20FN5O/c17-14-6-2-1-5-13(14)16(8-3-4-9-16)11-18-15(23)7-10-22-12-19-20-21-22/h1-2,5-6,12H,3-4,7-11H2,(H,18,23)
InChIKeyHONUXANDVPAWLN-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.83
Rot. Bonds6

About N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-(tetrazol-1-yl)propanamide

N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-(tetrazol-1-yl)propanamide (PubChem CID 122556371) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-(tetrazol-1-yl)propanamide
PubChem CID122556371
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC NameN-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)NCC1(c2ccccc2F)CCCC1
InChIInChI=1S/C16H20FN5O/c17-14-6-2-1-5-13(14)16(8-3-4-9-16)11-18-15(23)7-10-22-12-19-20-21-22/h1-2,5-6,12H,3-4,7-11H2,(H,18,23)
InChIKeyHONUXANDVPAWLN-UHFFFAOYSA-N
XLogP1.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2-(5-methyltetrazol-1-yl)acetamide
CID 56868307
N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(tetrazol-1-yl)acetamide
CID 92572443
4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid
CID 110481809
N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-(tetrazol-1-yl)acetamide
CID 146124911
N-[[1-(2,4-dimethylphenyl)cyclopentyl]methyl]-2-(tetrazol-1-yl)acetamide
CID 146132083
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(tetrazol-1-yl)butanamide
CID 122568157
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)propanamide
CID 125431122
N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide
CID 99972818
N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride
CID 154903662
1-[1-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 62595690
(3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95875451
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56806394

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-(tetrazol-1-yl)propanamide (CID 122556371) is N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-(tetrazol-1-yl)propanamide is O=C(CCn1cnnn1)NCC1(c2ccccc2F)CCCC1.
What is the InChIKey of N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is HONUXANDVPAWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c17-14-6-2-1-5-13(14)16(8-3-4-9-16)11-18-15(23)7-10-22-12-19-20-21-22/h1-2,5-6,12H,3-4,7-11H2,(H,18,23).
What are the key properties of N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-(tetrazol-1-yl)propanamide?
N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 317.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 122556371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).