propan-2-yl 5-[(2-bromobenzoyl)amino]-2-chlorobenzoate

C17H15BrClNO3 — CID 507322

IUPACpropan-2-yl 5-[(2-bromobenzoyl)amino]-2-chlorobenzoate
SMILESCC(C)OC(=O)c1cc(NC(=O)c2ccccc2Br)ccc1Cl
InChIInChI=1S/C17H15BrClNO3/c1-10(2)23-17(22)13-9-11(7-8-15(13)19)20-16(21)12-5-3-4-6-14(12)18/h3-10H,1-2H3,(H,20,21)
InChIKeyJSDYXQZCCWYDBR-UHFFFAOYSA-N
MW396.67 g/mol
LogP4.92
Rot. Bonds4

About propan-2-yl 5-[(2-bromobenzoyl)amino]-2-chlorobenzoate

propan-2-yl 5-[(2-bromobenzoyl)amino]-2-chlorobenzoate (PubChem CID 507322) has the molecular formula C17H15BrClNO3 and a molecular weight of 396.67 g/mol. Its IUPAC name is propan-2-yl 5-[(2-bromobenzoyl)amino]-2-chlorobenzoate.

Molecular Properties

Compound Namepropan-2-yl 5-[(2-bromobenzoyl)amino]-2-chlorobenzoate
PubChem CID507322
Molecular FormulaC17H15BrClNO3
Molecular Weight396.67 g/mol
Exact Mass394.99
IUPAC Namepropan-2-yl 5-[(2-bromobenzoyl)amino]-2-chlorobenzoate
SMILESCC(C)OC(=O)c1cc(NC(=O)c2ccccc2Br)ccc1Cl
InChIInChI=1S/C17H15BrClNO3/c1-10(2)23-17(22)13-9-11(7-8-15(13)19)20-16(21)12-5-3-4-6-14(12)18/h3-10H,1-2H3,(H,20,21)
InChIKeyJSDYXQZCCWYDBR-UHFFFAOYSA-N
XLogP4.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 47227901
4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid
CID 28667151
methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate
CID 1312112
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 2184947
2-bromo-N-[(2S)-1-(3,4-dichloroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2547276
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
2-bromo-N-naphthalen-2-ylbenzamide
CID 4259663
propan-2-yl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate
CID 44577387
propan-2-yl 2-chloro-5-(cyclohexyloxycarbothioylamino)benzoate
CID 3005976
2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837189

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[(2-bromobenzoyl)amino]-2-chlorobenzoate?
The IUPAC name of propan-2-yl 5-[(2-bromobenzoyl)amino]-2-chlorobenzoate (CID 507322) is propan-2-yl 5-[(2-bromobenzoyl)amino]-2-chlorobenzoate.
What is the SMILES notation for propan-2-yl 5-[(2-bromobenzoyl)amino]-2-chlorobenzoate?
The canonical SMILES for propan-2-yl 5-[(2-bromobenzoyl)amino]-2-chlorobenzoate is CC(C)OC(=O)c1cc(NC(=O)c2ccccc2Br)ccc1Cl.
What is the InChIKey of propan-2-yl 5-[(2-bromobenzoyl)amino]-2-chlorobenzoate?
The InChIKey is JSDYXQZCCWYDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO3/c1-10(2)23-17(22)13-9-11(7-8-15(13)19)20-16(21)12-5-3-4-6-14(12)18/h3-10H,1-2H3,(H,20,21).
What are the key properties of propan-2-yl 5-[(2-bromobenzoyl)amino]-2-chlorobenzoate?
propan-2-yl 5-[(2-bromobenzoyl)amino]-2-chlorobenzoate has a molecular weight of 396.67 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[(2-bromobenzoyl)amino]-2-chlorobenzoate is sourced from PubChem (CID 507322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).