4-chloro-3-(dimethylcarbamoylamino)-2-methyl-N-(1-methyltetrazol-5-yl)benzamide

C13H16ClN7O2 — CID 146606392

IUPAC4-chloro-3-(dimethylcarbamoylamino)-2-methyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCc1c(C(=O)Nc2nnnn2C)ccc(Cl)c1NC(=O)N(C)C
InChIInChI=1S/C13H16ClN7O2/c1-7-8(11(22)16-12-17-18-19-21(12)4)5-6-9(14)10(7)15-13(23)20(2)3/h5-6H,1-4H3,(H,15,23)(H,16,17,19,22)
InChIKeySYVXGXVKSQCZLS-UHFFFAOYSA-N
MW337.77 g/mol
LogP1.52
Rot. Bonds3

About 4-chloro-3-(dimethylcarbamoylamino)-2-methyl-N-(1-methyltetrazol-5-yl)benzamide

4-chloro-3-(dimethylcarbamoylamino)-2-methyl-N-(1-methyltetrazol-5-yl)benzamide (PubChem CID 146606392) has the molecular formula C13H16ClN7O2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 4-chloro-3-(dimethylcarbamoylamino)-2-methyl-N-(1-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(dimethylcarbamoylamino)-2-methyl-N-(1-methyltetrazol-5-yl)benzamide
PubChem CID146606392
Molecular FormulaC13H16ClN7O2
Molecular Weight337.77 g/mol
Exact Mass337.11
IUPAC Name4-chloro-3-(dimethylcarbamoylamino)-2-methyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCc1c(C(=O)Nc2nnnn2C)ccc(Cl)c1NC(=O)N(C)C
InChIInChI=1S/C13H16ClN7O2/c1-7-8(11(22)16-12-17-18-19-21(12)4)5-6-9(14)10(7)15-13(23)20(2)3/h5-6H,1-4H3,(H,15,23)(H,16,17,19,22)
InChIKeySYVXGXVKSQCZLS-UHFFFAOYSA-N
XLogP1.52
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-N-(1-methyltetrazol-5-yl)benzene-6-ide-1,3-dicarboxamide;yttrium
CID 177043614
4-methoxy-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
CID 118639402
2-hydroxy-N-(1-methyltetrazol-5-yl)benzamide
CID 15029704
4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide
CID 167770872
3-methoxysulfanyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118639448
2-chloro-3-(methylamino)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840928
3-chloro-N-(1-methyltetrazol-5-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 155004954
2-chloro-3-(2-ethylbutanoylamino)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168841030
5-bromo-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide
CID 925603
3-ethylsulfonyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 166505089
2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 177043628
2-chloro-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(2,2,2-trifluoroethyl)benzamide
CID 166505084

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylcarbamoylamino)-2-methyl-N-(1-methyltetrazol-5-yl)benzamide?
The IUPAC name of 4-chloro-3-(dimethylcarbamoylamino)-2-methyl-N-(1-methyltetrazol-5-yl)benzamide (CID 146606392) is 4-chloro-3-(dimethylcarbamoylamino)-2-methyl-N-(1-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-3-(dimethylcarbamoylamino)-2-methyl-N-(1-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-3-(dimethylcarbamoylamino)-2-methyl-N-(1-methyltetrazol-5-yl)benzamide is Cc1c(C(=O)Nc2nnnn2C)ccc(Cl)c1NC(=O)N(C)C.
What is the InChIKey of 4-chloro-3-(dimethylcarbamoylamino)-2-methyl-N-(1-methyltetrazol-5-yl)benzamide?
The InChIKey is SYVXGXVKSQCZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN7O2/c1-7-8(11(22)16-12-17-18-19-21(12)4)5-6-9(14)10(7)15-13(23)20(2)3/h5-6H,1-4H3,(H,15,23)(H,16,17,19,22).
What are the key properties of 4-chloro-3-(dimethylcarbamoylamino)-2-methyl-N-(1-methyltetrazol-5-yl)benzamide?
4-chloro-3-(dimethylcarbamoylamino)-2-methyl-N-(1-methyltetrazol-5-yl)benzamide has a molecular weight of 337.77 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dimethylcarbamoylamino)-2-methyl-N-(1-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 146606392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).