N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(tetrazol-1-yl)butanamide

C14H18FN5O2 — CID 122559378

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(tetrazol-1-yl)butanamide
SMILESCOc1ccc(C(C)NC(=O)CCCn2cnnn2)cc1F
InChIInChI=1S/C14H18FN5O2/c1-10(11-5-6-13(22-2)12(15)8-11)17-14(21)4-3-7-20-9-16-18-19-20/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,21)
InChIKeyBXCZQTZWXMJKOB-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.48
Rot. Bonds7

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(tetrazol-1-yl)butanamide

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(tetrazol-1-yl)butanamide (PubChem CID 122559378) has the molecular formula C14H18FN5O2 and a molecular weight of 307.33 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(tetrazol-1-yl)butanamide
PubChem CID122559378
Molecular FormulaC14H18FN5O2
Molecular Weight307.33 g/mol
Exact Mass307.14
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(tetrazol-1-yl)butanamide
SMILESCOc1ccc(C(C)NC(=O)CCCn2cnnn2)cc1F
InChIInChI=1S/C14H18FN5O2/c1-10(11-5-6-13(22-2)12(15)8-11)17-14(21)4-3-7-20-9-16-18-19-20/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,21)
InChIKeyBXCZQTZWXMJKOB-UHFFFAOYSA-N
XLogP1.48
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 51075123
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 125440530
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]butanamide
CID 46828593
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 94168661
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
N-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide
CID 61022683
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 46828553
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide
CID 9051513
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea
CID 94168500
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-pyridin-4-ylsulfanylacetamide
CID 31732418
5-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62966105

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(tetrazol-1-yl)butanamide?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(tetrazol-1-yl)butanamide (CID 122559378) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(tetrazol-1-yl)butanamide is COc1ccc(C(C)NC(=O)CCCn2cnnn2)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(tetrazol-1-yl)butanamide?
The InChIKey is BXCZQTZWXMJKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O2/c1-10(11-5-6-13(22-2)12(15)8-11)17-14(21)4-3-7-20-9-16-18-19-20/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,21).
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(tetrazol-1-yl)butanamide?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(tetrazol-1-yl)butanamide has a molecular weight of 307.33 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 122559378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).