N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide

C21H22ClFN6O3 — CID 3179786

IUPACN-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3ccc(F)c(Cl)c3)n2)o1
InChIInChI=1S/C21H22ClFN6O3/c1-13-6-9-18(32-13)21-25-27-29(26-21)12-20(31)28(15-7-8-17(23)16(22)10-15)11-19(30)24-14-4-2-3-5-14/h6-10,14H,2-5,11-12H2,1H3,(H,24,30)
InChIKeyWGBHWNATCDLAHJ-UHFFFAOYSA-N
MW460.90 g/mol
LogP3.13
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide

N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (PubChem CID 3179786) has the molecular formula C21H22ClFN6O3 and a molecular weight of 460.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
PubChem CID3179786
Molecular FormulaC21H22ClFN6O3
Molecular Weight460.90 g/mol
Exact Mass460.14
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3ccc(F)c(Cl)c3)n2)o1
InChIInChI=1S/C21H22ClFN6O3/c1-13-6-9-18(32-13)21-25-27-29(26-21)12-20(31)28(15-7-8-17(23)16(22)10-15)11-19(30)24-14-4-2-3-5-14/h6-10,14H,2-5,11-12H2,1H3,(H,24,30)
InChIKeyWGBHWNATCDLAHJ-UHFFFAOYSA-N
XLogP3.13
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.90
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-((2-Methoxy-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-pentanoic acid cyclopentylamide
CID 647713
N-(tert-Butylcarbamoyl-methyl)-N-(2-methoxy-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 648211
N-(3-Chloro-4-fluoro-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-acetamide
CID 651258
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
CID 1153911
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1153917
N-Cyclopentylcarbamoylmethyl-N-(4-methoxy-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 3179795
N-Cyclopentyl-2-((4-fluoro-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-butyramide
CID 3179950
N-Cyclohexylcarbamoylmethyl-N-(3-methoxy-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 3180557
N-(Benzylcarbamoyl-methyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-N-m-tolyl-acetamide
CID 644572
2-[5-(5-Methyl-furan-2-yl)-tetrazol-2-yl]-1-(4-phenyl-piperazin-1-yl)-ethanone
CID 647607
N-(tert-Butylcarbamoyl-methyl)-N-(2-ethoxy-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 647676
N-Cyclopentyl-2-((3-fluoro-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-furan-2-yl-acetamide
CID 649891

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (CID 3179786) is N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3ccc(F)c(Cl)c3)n2)o1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The InChIKey is WGBHWNATCDLAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN6O3/c1-13-6-9-18(32-13)21-25-27-29(26-21)12-20(31)28(15-7-8-17(23)16(22)10-15)11-19(30)24-14-4-2-3-5-14/h6-10,14H,2-5,11-12H2,1H3,(H,24,30).
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide has a molecular weight of 460.90 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 3179786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).