N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide

C16H14ClN5O2 — CID 18081318

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H14ClN5O2/c1-10-6-14(15(24-2)8-13(10)17)19-16(23)11-4-3-5-12(7-11)22-9-18-20-21-22/h3-9H,1-2H3,(H,19,23)
InChIKeyVISDLBSKHYJFQX-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.89
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 18081318) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide
PubChem CID18081318
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H14ClN5O2/c1-10-6-14(15(24-2)8-13(10)17)19-16(23)11-4-3-5-12(7-11)22-9-18-20-21-22/h3-9H,1-2H3,(H,19,23)
InChIKeyVISDLBSKHYJFQX-UHFFFAOYSA-N
XLogP2.89
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844
N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 862139
N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26209349
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide
CID 16648846
1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050654
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide
CID 50776835
methyl 2-chloro-5-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 34160272
N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 35362853
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide
CID 2668918
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 81456873

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide (CID 18081318) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide is COc1cc(Cl)c(C)cc1NC(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is VISDLBSKHYJFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-10-6-14(15(24-2)8-13(10)17)19-16(23)11-4-3-5-12(7-11)22-9-18-20-21-22/h3-9H,1-2H3,(H,19,23).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 343.77 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 18081318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).