N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-4-(tetrazol-1-yl)benzamide

C18H17BrN6O2 — CID 55616644

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(-n2cnnn2)c(C)c1
InChIInChI=1S/C18H17BrN6O2/c1-11-8-14(19)4-5-15(11)22-17(26)9-20-18(27)13-3-6-16(12(2)7-13)25-10-21-23-24-25/h3-8,10H,9H2,1-2H3,(H,20,27)(H,22,26)
InChIKeyILBHOCCPSLNGFW-UHFFFAOYSA-N
MW429.28 g/mol
LogP2.41
Rot. Bonds5

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-4-(tetrazol-1-yl)benzamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-4-(tetrazol-1-yl)benzamide (PubChem CID 55616644) has the molecular formula C18H17BrN6O2 and a molecular weight of 429.28 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-4-(tetrazol-1-yl)benzamide
PubChem CID55616644
Molecular FormulaC18H17BrN6O2
Molecular Weight429.28 g/mol
Exact Mass428.06
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(-n2cnnn2)c(C)c1
InChIInChI=1S/C18H17BrN6O2/c1-11-8-14(19)4-5-15(11)22-17(26)9-20-18(27)13-3-6-16(12(2)7-13)25-10-21-23-24-25/h3-8,10H,9H2,1-2H3,(H,20,27)(H,22,26)
InChIKeyILBHOCCPSLNGFW-UHFFFAOYSA-N
XLogP2.41
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-bromo-2-pyridinyl)-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55773373
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 17439988
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide
CID 27781579
3-methyl-4-(tetrazol-1-yl)benzoic acid
CID 16775489
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27781558
3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide
CID 46408400
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide
CID 26071019
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenylimidazole-4-carboxamide
CID 17437537
2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide
CID 26549746
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 46682517

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-4-(tetrazol-1-yl)benzamide (CID 55616644) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-4-(tetrazol-1-yl)benzamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(-n2cnnn2)c(C)c1.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is ILBHOCCPSLNGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN6O2/c1-11-8-14(19)4-5-15(11)22-17(26)9-20-18(27)13-3-6-16(12(2)7-13)25-10-21-23-24-25/h3-8,10H,9H2,1-2H3,(H,20,27)(H,22,26).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 429.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55616644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).