N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide

C16H14ClN5O2 — CID 110887488

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1ccccc1-n1cnnn1
InChIInChI=1S/C16H14ClN5O2/c17-12-7-5-11(6-8-12)15(23)9-18-16(24)13-3-1-2-4-14(13)22-10-19-20-21-22/h1-8,10,15,23H,9H2,(H,18,24)
InChIKeyNSPLBQSGRALKAD-UHFFFAOYSA-N
MW343.77 g/mol
LogP1.78
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 110887488) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide
PubChem CID110887488
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1ccccc1-n1cnnn1
InChIInChI=1S/C16H14ClN5O2/c17-12-7-5-11(6-8-12)15(23)9-18-16(24)13-3-1-2-4-14(13)22-10-19-20-21-22/h1-8,10,15,23H,9H2,(H,18,24)
InChIKeyNSPLBQSGRALKAD-UHFFFAOYSA-N
XLogP1.78
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 9208938
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
N-[2-(6-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 56761302
N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785
N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 78789374
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119506175
N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 46642572
N-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 111445767
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 46545686
2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 46541136
N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide
CID 24678149

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide (CID 110887488) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide is O=C(NCC(O)c1ccc(Cl)cc1)c1ccccc1-n1cnnn1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is NSPLBQSGRALKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c17-12-7-5-11(6-8-12)15(23)9-18-16(24)13-3-1-2-4-14(13)22-10-19-20-21-22/h1-8,10,15,23H,9H2,(H,18,24).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 343.77 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 110887488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).