N-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide

C19H21BrN2O2 — CID 46523398

IUPACN-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCc1cc(Br)ccc1NC(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C19H21BrN2O2/c1-12-10-14(20)8-9-16(12)22-17(23)13-6-5-7-15(11-13)21-18(24)19(2,3)4/h5-11H,1-4H3,(H,21,24)(H,22,23)
InChIKeyWPVPIPORLZATBT-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.99
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide

N-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide (PubChem CID 46523398) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
PubChem CID46523398
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCc1cc(Br)ccc1NC(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C19H21BrN2O2/c1-12-10-14(20)8-9-16(12)22-17(23)13-6-5-7-15(11-13)21-18(24)19(2,3)4/h5-11H,1-4H3,(H,21,24)(H,22,23)
InChIKeyWPVPIPORLZATBT-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)-4-(2,2-dimethylpropanoylamino)benzamide
CID 1370379
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
N-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35184686
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4586964
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide
CID 17204543
3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide
CID 35186877
N-(4-bromo-2-methylphenyl)-3-cyanobenzamide
CID 18777750
N-(4-bromo-2-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239464
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 35207652

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide (CID 46523398) is N-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide is Cc1cc(Br)ccc1NC(=O)c1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is WPVPIPORLZATBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-12-10-14(20)8-9-16(12)22-17(23)13-6-5-7-15(11-13)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)-3-(2,2-dimethylpropanoylamino)benzamide?
N-(4-bromo-2-methylphenyl)-3-(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)-3-(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 46523398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).