3-chloro-2-methyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]benzamide

C12H14ClN5O — CID 129433441

IUPAC3-chloro-2-methyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]benzamide
SMILESCc1c(Cl)cccc1C(=O)N[C@@H](C)c1nnnn1C
InChIInChI=1S/C12H14ClN5O/c1-7-9(5-4-6-10(7)13)12(19)14-8(2)11-15-16-17-18(11)3/h4-6,8H,1-3H3,(H,14,19)/t8-/m0/s1
InChIKeyODIFIEMVZLWTIU-QMMMGPOBSA-N
MW279.73 g/mol
LogP1.66
Rot. Bonds3

About 3-chloro-2-methyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]benzamide

3-chloro-2-methyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]benzamide (PubChem CID 129433441) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]benzamide
PubChem CID129433441
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name3-chloro-2-methyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]benzamide
SMILESCc1c(Cl)cccc1C(=O)N[C@@H](C)c1nnnn1C
InChIInChI=1S/C12H14ClN5O/c1-7-9(5-4-6-10(7)13)12(19)14-8(2)11-15-16-17-18(11)3/h4-6,8H,1-3H3,(H,14,19)/t8-/m0/s1
InChIKeyODIFIEMVZLWTIU-QMMMGPOBSA-N
XLogP1.66
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110473486
3-chloro-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)benzamide
CID 100689587
(2S)-2-[(3-chloro-2-methylbenzoyl)amino]propanoic acid
CID 107095878
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 107097794
3-bromo-6-fluoro-2-methyl-N-[1-(1-methyltetrazol-5-yl)ethyl]benzamide
CID 138027219
2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide
CID 110870969
2-chloro-N-[1-[5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 5154922
[(3-chloro-2-methylbenzoyl)amino]urea
CID 107100350
3-chloro-N-cyano-2-methylbenzamide
CID 107097637
3-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbenzamide
CID 107168142
2-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107096030
2-chloro-N-[(1S)-1-[5-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 126348863

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-2-methyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]benzamide (CID 129433441) is 3-chloro-2-methyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-2-methyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]benzamide is Cc1c(Cl)cccc1C(=O)N[C@@H](C)c1nnnn1C.
What is the InChIKey of 3-chloro-2-methyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]benzamide?
The InChIKey is ODIFIEMVZLWTIU-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-7-9(5-4-6-10(7)13)12(19)14-8(2)11-15-16-17-18(11)3/h4-6,8H,1-3H3,(H,14,19)/t8-/m0/s1.
What are the key properties of 3-chloro-2-methyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]benzamide?
3-chloro-2-methyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]benzamide has a molecular weight of 279.73 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 129433441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).