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

C20H16ClNO3 — CID 18673034

IUPAC2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoic acid
SMILESCC(NC(=O)c1ccc(C(=O)O)c(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C20H16ClNO3/c1-12(15-8-4-6-13-5-2-3-7-16(13)15)22-19(23)14-9-10-17(20(24)25)18(21)11-14/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyIDRPZJDSLJYXPE-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.68
Rot. Bonds4

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

2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoic acid (PubChem CID 18673034) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoic acid
PubChem CID18673034
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC Name2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoic acid
SMILESCC(NC(=O)c1ccc(C(=O)O)c(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C20H16ClNO3/c1-12(15-8-4-6-13-5-2-3-7-16(13)15)22-19(23)14-9-10-17(20(24)25)18(21)11-14/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyIDRPZJDSLJYXPE-UHFFFAOYSA-N
XLogP4.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoic acid?
The IUPAC name of 2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoic acid (CID 18673034) is 2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoic acid?
The canonical SMILES for 2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoic acid is CC(NC(=O)c1ccc(C(=O)O)c(Cl)c1)c1cccc2ccccc12.
What is the InChIKey of 2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoic acid?
The InChIKey is IDRPZJDSLJYXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3/c1-12(15-8-4-6-13-5-2-3-7-16(13)15)22-19(23)14-9-10-17(20(24)25)18(21)11-14/h2-12H,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoic acid?
2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoic acid has a molecular weight of 353.81 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoic acid is sourced from PubChem (CID 18673034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).