N-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide

C19H21BrN2O2 — CID 1370379

IUPACN-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H21BrN2O2/c1-12-11-14(20)7-10-16(12)22-17(23)13-5-8-15(9-6-13)21-18(24)19(2,3)4/h5-11H,1-4H3,(H,21,24)(H,22,23)
InChIKeyMFYQALGIVVQLPJ-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.99
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide

N-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide (PubChem CID 1370379) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide
PubChem CID1370379
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H21BrN2O2/c1-12-11-14(20)7-10-16(12)22-17(23)13-5-8-15(9-6-13)21-18(24)19(2,3)4/h5-11H,1-4H3,(H,21,24)(H,22,23)
InChIKeyMFYQALGIVVQLPJ-UHFFFAOYSA-N
XLogP4.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 46523398
ethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate
CID 9159193
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-(4-bromo-2-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239464
4-bromo-N-(4-iodo-2-methylphenyl)benzamide
CID 1379401
4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043990
3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
CID 104851628
[2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamic acid
CID 67418412
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
N-(4-bromophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210283
methyl 4-[[2-(4-bromo-2-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108528189

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide (CID 1370379) is N-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide is Cc1cc(Br)ccc1NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is MFYQALGIVVQLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-12-11-14(20)7-10-16(12)22-17(23)13-5-8-15(9-6-13)21-18(24)19(2,3)4/h5-11H,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide?
N-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide has a molecular weight of 389.29 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 1370379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).