2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid

C16H14ClNO3 — CID 53227848

IUPAC2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid
SMILESCCNC(=O)c1cccc(-c2ccc(Cl)c(C(=O)O)c2)c1
InChIInChI=1S/C16H14ClNO3/c1-2-18-15(19)12-5-3-4-10(8-12)11-6-7-14(17)13(9-11)16(20)21/h3-9H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyOSZUWMDGGIHODO-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.45
Rot. Bonds4

About 2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid

2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid (PubChem CID 53227848) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid
PubChem CID53227848
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid
SMILESCCNC(=O)c1cccc(-c2ccc(Cl)c(C(=O)O)c2)c1
InChIInChI=1S/C16H14ClNO3/c1-2-18-15(19)12-5-3-4-10(8-12)11-6-7-14(17)13(9-11)16(20)21/h3-9H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyOSZUWMDGGIHODO-UHFFFAOYSA-N
XLogP3.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid
CID 53227834
2-chloro-6-[3-(ethylcarbamoyl)phenyl]benzoic acid
CID 53227852
5-(3-carbamoylphenyl)-2-chlorobenzoic acid
CID 53226144
5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224075
methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
CID 70972222
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide
CID 70972215
3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid
CID 53227846
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide
CID 137334943
5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide
CID 42845804
2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid
CID 53227842
2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17230631
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid?
The IUPAC name of 2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid (CID 53227848) is 2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid is CCNC(=O)c1cccc(-c2ccc(Cl)c(C(=O)O)c2)c1.
What is the InChIKey of 2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid?
The InChIKey is OSZUWMDGGIHODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-2-18-15(19)12-5-3-4-10(8-12)11-6-7-14(17)13(9-11)16(20)21/h3-9H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid?
2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid has a molecular weight of 303.75 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid is sourced from PubChem (CID 53227848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).