propan-2-yl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate

C17H15Cl2NO3 — CID 44577387

IUPACpropan-2-yl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate
SMILESCC(C)OC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H15Cl2NO3/c1-10(2)23-17(22)13-8-7-11(18)9-15(13)20-16(21)12-5-3-4-6-14(12)19/h3-10H,1-2H3,(H,20,21)
InChIKeyAZCYYSPDNYROAF-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.81
Rot. Bonds4

About propan-2-yl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate

propan-2-yl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate (PubChem CID 44577387) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is propan-2-yl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate
PubChem CID44577387
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Namepropan-2-yl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate
SMILESCC(C)OC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H15Cl2NO3/c1-10(2)23-17(22)13-8-7-11(18)9-15(13)20-16(21)12-5-3-4-6-14(12)19/h3-10H,1-2H3,(H,20,21)
InChIKeyAZCYYSPDNYROAF-UHFFFAOYSA-N
XLogP4.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-chloro-2-[(2-methylbenzoyl)amino]benzoate
CID 16725910
methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate
CID 108785394
propan-2-yl 5-benzamido-2-chloro-4-fluorobenzoate
CID 507314
2,4-dichloro-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 43508509
propan-2-yl 5-[(2-bromobenzoyl)amino]-2-chlorobenzoate
CID 507322
ethyl 4-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoate
CID 44577383
2,4-dichloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]benzamide
CID 4029873
methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
CID 103763170
N-(2-acetylphenyl)-2,5-dichlorobenzamide
CID 26067712
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide
CID 848431
methyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate
CID 108745807

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate?
The IUPAC name of propan-2-yl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate (CID 44577387) is propan-2-yl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate.
What is the SMILES notation for propan-2-yl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate?
The canonical SMILES for propan-2-yl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate is CC(C)OC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1Cl.
What is the InChIKey of propan-2-yl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate?
The InChIKey is AZCYYSPDNYROAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c1-10(2)23-17(22)13-8-7-11(18)9-15(13)20-16(21)12-5-3-4-6-14(12)19/h3-10H,1-2H3,(H,20,21).
What are the key properties of propan-2-yl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate?
propan-2-yl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate has a molecular weight of 352.22 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-chloro-2-[(2-chlorobenzoyl)amino]benzoate is sourced from PubChem (CID 44577387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).