4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide

C16H14ClN5O2 — CID 50820638

IUPAC4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1cccc(-n2cnnn2)c1C
InChIInChI=1S/C16H14ClN5O2/c1-10-13(4-3-5-14(10)22-9-18-20-21-22)19-16(23)12-7-6-11(17)8-15(12)24-2/h3-9H,1-2H3,(H,19,23)
InChIKeyHBRGCJZUVWXFOQ-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.89
Rot. Bonds4

About 4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide

4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 50820638) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID50820638
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1cccc(-n2cnnn2)c1C
InChIInChI=1S/C16H14ClN5O2/c1-10-13(4-3-5-14(10)22-9-18-20-21-22)19-16(23)12-7-6-11(17)8-15(12)24-2/h3-9H,1-2H3,(H,19,23)
InChIKeyHBRGCJZUVWXFOQ-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

5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
2-ethoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 2579568
4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide
CID 103721934
N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 862139
5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide
CID 55776312
4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide
CID 42571537
N-[2-methyl-3-(tetrazol-1-yl)phenyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 2472286
N-(5-chloro-2-methoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 51044801
5-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55827929
N-(2,5-dichlorophenyl)-4-fluoro-2-(tetrazol-1-yl)benzamide
CID 29129325
ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 42582252
N-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide
CID 104756975

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide (CID 50820638) is 4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide is COc1cc(Cl)ccc1C(=O)Nc1cccc(-n2cnnn2)c1C.
What is the InChIKey of 4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is HBRGCJZUVWXFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-10-13(4-3-5-14(10)22-9-18-20-21-22)19-16(23)12-7-6-11(17)8-15(12)24-2/h3-9H,1-2H3,(H,19,23).
What are the key properties of 4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]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 4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 50820638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).