5-chloro-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoate

C19H13ClNO4- — CID 7372915

IUPAC5-chloro-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoate
SMILESO=C(COc1ccc2ccccc2c1)Nc1ccc(Cl)cc1C(=O)[O-]
InChIInChI=1S/C19H14ClNO4/c20-14-6-8-17(16(10-14)19(23)24)21-18(22)11-25-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,21,22)(H,23,24)/p-1
InChIKeyKCBOJZHOVDMTAF-UHFFFAOYSA-M
MW354.77 g/mol
LogP2.87
Rot. Bonds5

About 5-chloro-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoate

5-chloro-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoate (PubChem CID 7372915) has the molecular formula C19H13ClNO4- and a molecular weight of 354.77 g/mol. Its IUPAC name is 5-chloro-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoate.

Molecular Properties

Compound Name5-chloro-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoate
PubChem CID7372915
Molecular FormulaC19H13ClNO4-
Molecular Weight354.77 g/mol
Exact Mass354.05
IUPAC Name5-chloro-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoate
SMILESO=C(COc1ccc2ccccc2c1)Nc1ccc(Cl)cc1C(=O)[O-]
InChIInChI=1S/C19H14ClNO4/c20-14-6-8-17(16(10-14)19(23)24)21-18(22)11-25-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,21,22)(H,23,24)/p-1
InChIKeyKCBOJZHOVDMTAF-UHFFFAOYSA-M
XLogP2.87
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminophenyl)-2-naphthalen-2-yloxyacetamide
CID 16792527
N-(2-chloro-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 7926753
N-(2,5-difluorophenyl)-2-naphthalen-2-yloxyacetamide
CID 7958914
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
CID 4513496
5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid
CID 66680457
4-chloro-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate
CID 7372746
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
N-(2-chloro-5-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 112811882
N-(3-chloro-2-fluorophenyl)-2-naphthalen-2-yloxyacetamide
CID 26309229
N-(2-benzoyl-4-chlorophenyl)-2-(4-phenylphenoxy)acetamide
CID 19169901
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 4199066

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoate?
The IUPAC name of 5-chloro-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoate (CID 7372915) is 5-chloro-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoate.
What is the SMILES notation for 5-chloro-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoate?
The canonical SMILES for 5-chloro-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoate is O=C(COc1ccc2ccccc2c1)Nc1ccc(Cl)cc1C(=O)[O-].
What is the InChIKey of 5-chloro-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoate?
The InChIKey is KCBOJZHOVDMTAF-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H14ClNO4/c20-14-6-8-17(16(10-14)19(23)24)21-18(22)11-25-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,21,22)(H,23,24)/p-1.
What are the key properties of 5-chloro-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoate?
5-chloro-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoate has a molecular weight of 354.77 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoate is sourced from PubChem (CID 7372915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).