4-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-chlorobenzamide

C19H20BrClN2O2 — CID 55868767

IUPAC4-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-chlorobenzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C19H20BrClN2O2/c1-3-12(2)23-18(24)14-6-4-5-13(9-14)11-22-19(25)16-8-7-15(20)10-17(16)21/h4-10,12H,3,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyXWSHPPGGTJMKOD-UHFFFAOYSA-N
MW423.74 g/mol
LogP4.56
Rot. Bonds6

About 4-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-chlorobenzamide

4-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-chlorobenzamide (PubChem CID 55868767) has the molecular formula C19H20BrClN2O2 and a molecular weight of 423.74 g/mol. Its IUPAC name is 4-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-chlorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-chlorobenzamide
PubChem CID55868767
Molecular FormulaC19H20BrClN2O2
Molecular Weight423.74 g/mol
Exact Mass422.04
IUPAC Name4-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-chlorobenzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C19H20BrClN2O2/c1-3-12(2)23-18(24)14-6-4-5-13(9-14)11-22-19(25)16-8-7-15(20)10-17(16)21/h4-10,12H,3,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyXWSHPPGGTJMKOD-UHFFFAOYSA-N
XLogP4.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.74
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 55749266
2-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-fluorobenzamide
CID 47043729
5-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 55798246
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-iodo-3-methylbenzamide
CID 55749335
3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719732
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287336
3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide
CID 119287321
3-(bromomethyl)-N-butan-2-ylbenzamide
CID 82109543
4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide
CID 61401019
N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide
CID 55749265
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55798341

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-chlorobenzamide?
The IUPAC name of 4-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-chlorobenzamide (CID 55868767) is 4-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-chlorobenzamide.
What is the SMILES notation for 4-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-chlorobenzamide?
The canonical SMILES for 4-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-chlorobenzamide is CCC(C)NC(=O)c1cccc(CNC(=O)c2ccc(Br)cc2Cl)c1.
What is the InChIKey of 4-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-chlorobenzamide?
The InChIKey is XWSHPPGGTJMKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O2/c1-3-12(2)23-18(24)14-6-4-5-13(9-14)11-22-19(25)16-8-7-15(20)10-17(16)21/h4-10,12H,3,11H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 4-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-chlorobenzamide?
4-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-chlorobenzamide has a molecular weight of 423.74 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-chlorobenzamide is sourced from PubChem (CID 55868767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).