2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide

C16H20ClN5O3 — CID 110164165

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N[C@@H]1CCCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H20ClN5O3/c17-11-7-5-10(6-8-11)16-19-21-22(20-16)9-14(24)18-12-3-1-2-4-13(23)15(12)25/h5-8,12-13,15,23,25H,1-4,9H2,(H,18,24)/t12-,13-,15-/m1/s1
InChIKeyCOUSEPFCRATHDX-UMVBOHGHSA-N
MW365.82 g/mol
LogP0.77
Rot. Bonds4

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide (PubChem CID 110164165) has the molecular formula C16H20ClN5O3 and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide
PubChem CID110164165
Molecular FormulaC16H20ClN5O3
Molecular Weight365.82 g/mol
Exact Mass365.13
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N[C@@H]1CCCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H20ClN5O3/c17-11-7-5-10(6-8-11)16-19-21-22(20-16)9-14(24)18-12-3-1-2-4-13(23)15(12)25/h5-8,12-13,15,23,25H,1-4,9H2,(H,18,24)/t12-,13-,15-/m1/s1
InChIKeyCOUSEPFCRATHDX-UMVBOHGHSA-N
XLogP0.77
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide with MolForge

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Related Compounds

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 4825781
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide
CID 120575453
cis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678264
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9355690
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
CID 119458083
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide
CID 3179691
N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589043
N-[2-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 119603819
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634183
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7634930
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120944477

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide (CID 110164165) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide is O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N[C@@H]1CCCC[C@@H](O)[C@@H]1O.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide?
The InChIKey is COUSEPFCRATHDX-UMVBOHGHSA-N. The full InChI is InChI=1S/C16H20ClN5O3/c17-11-7-5-10(6-8-11)16-19-21-22(20-16)9-14(24)18-12-3-1-2-4-13(23)15(12)25/h5-8,12-13,15,23,25H,1-4,9H2,(H,18,24)/t12-,13-,15-/m1/s1.
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide has a molecular weight of 365.82 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide is sourced from PubChem (CID 110164165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).