2-chloro-4-(2-naphthalen-1-ylethylcarbamoyl)benzoic acid

C20H16ClNO3 — CID 70145903

IUPAC2-chloro-4-(2-naphthalen-1-ylethylcarbamoyl)benzoic acid
SMILESO=C(NCCc1cccc2ccccc12)c1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C20H16ClNO3/c21-18-12-15(8-9-17(18)20(24)25)19(23)22-11-10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,12H,10-11H2,(H,22,23)(H,24,25)
InChIKeyAMQLVPWJUQFPTN-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.16
Rot. Bonds5

About 2-chloro-4-(2-naphthalen-1-ylethylcarbamoyl)benzoic acid

2-chloro-4-(2-naphthalen-1-ylethylcarbamoyl)benzoic acid (PubChem CID 70145903) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-chloro-4-(2-naphthalen-1-ylethylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(2-naphthalen-1-ylethylcarbamoyl)benzoic acid
PubChem CID70145903
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC Name2-chloro-4-(2-naphthalen-1-ylethylcarbamoyl)benzoic acid
SMILESO=C(NCCc1cccc2ccccc12)c1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C20H16ClNO3/c21-18-12-15(8-9-17(18)20(24)25)19(23)22-11-10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,12H,10-11H2,(H,22,23)(H,24,25)
InChIKeyAMQLVPWJUQFPTN-UHFFFAOYSA-N
XLogP4.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2-naphthalen-1-ylethyl)benzamide
CID 46434104
3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837884
4-(methylsulfonylmethyl)-N-(2-naphthalen-1-ylethyl)benzamide
CID 46442591
4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 81306937
3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide
CID 100514262
N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46461593
N-(2-naphthalen-1-ylethyl)-2-nitrobenzamide
CID 19805473
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
2-amino-N-(2-naphthalen-1-ylethyl)acetamide
CID 115151700
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
(E)-4-(2-naphthalen-1-ylethylamino)-4-oxobut-2-enoic acid
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N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide
CID 25126325

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-naphthalen-1-ylethylcarbamoyl)benzoic acid?
The IUPAC name of 2-chloro-4-(2-naphthalen-1-ylethylcarbamoyl)benzoic acid (CID 70145903) is 2-chloro-4-(2-naphthalen-1-ylethylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-chloro-4-(2-naphthalen-1-ylethylcarbamoyl)benzoic acid?
The canonical SMILES for 2-chloro-4-(2-naphthalen-1-ylethylcarbamoyl)benzoic acid is O=C(NCCc1cccc2ccccc12)c1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-naphthalen-1-ylethylcarbamoyl)benzoic acid?
The InChIKey is AMQLVPWJUQFPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3/c21-18-12-15(8-9-17(18)20(24)25)19(23)22-11-10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,12H,10-11H2,(H,22,23)(H,24,25).
What are the key properties of 2-chloro-4-(2-naphthalen-1-ylethylcarbamoyl)benzoic acid?
2-chloro-4-(2-naphthalen-1-ylethylcarbamoyl)benzoic acid has a molecular weight of 353.81 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-naphthalen-1-ylethylcarbamoyl)benzoic acid is sourced from PubChem (CID 70145903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).