4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid

C25H24ClNO4 — CID 58148767

IUPAC4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid
SMILESCC(C)Oc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C25H24ClNO4/c1-16(2)31-23-12-11-21(26)15-22(23)24(28)27-14-13-17-3-5-18(6-4-17)19-7-9-20(10-8-19)25(29)30/h3-12,15-16H,13-14H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyOGWWVPXZUFYEBZ-UHFFFAOYSA-N
MW437.92 g/mol
LogP5.46
Rot. Bonds8

About 4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid

4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid (PubChem CID 58148767) has the molecular formula C25H24ClNO4 and a molecular weight of 437.92 g/mol. Its IUPAC name is 4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid.

Molecular Properties

Compound Name4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid
PubChem CID58148767
Molecular FormulaC25H24ClNO4
Molecular Weight437.92 g/mol
Exact Mass437.14
IUPAC Name4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid
SMILESCC(C)Oc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C25H24ClNO4/c1-16(2)31-23-12-11-21(26)15-22(23)24(28)27-14-13-17-3-5-18(6-4-17)19-7-9-20(10-8-19)25(29)30/h3-12,15-16H,13-14H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyOGWWVPXZUFYEBZ-UHFFFAOYSA-N
XLogP5.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.92
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid
CID 25269110
4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid
CID 70534274
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
4-[2-[[5-chloro-2-(dimethylamino)benzoyl]amino]ethyl]benzoic acid
CID 10569641
4-[4-[2-[(2-butoxy-5-chlorobenzoyl)amino]ethyl]phenyl]-3-methylbenzoic acid
CID 25270477
4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid
CID 70530914
5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride
CID 119429780
2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
CID 23453045
2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid
CID 25267684
5-chloro-N-(2-methylsulfinylpropyl)-2-propan-2-yloxybenzamide
CID 71844288
5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide
CID 10645534
5-chloro-2-hydroxy-N-[2-(4-phenylphenyl)ethyl]benzamide
CID 90932345

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid?
The IUPAC name of 4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid (CID 58148767) is 4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid.
What is the SMILES notation for 4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid?
The canonical SMILES for 4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid is CC(C)Oc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid?
The InChIKey is OGWWVPXZUFYEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClNO4/c1-16(2)31-23-12-11-21(26)15-22(23)24(28)27-14-13-17-3-5-18(6-4-17)19-7-9-20(10-8-19)25(29)30/h3-12,15-16H,13-14H2,1-2H3,(H,27,28)(H,29,30).
What are the key properties of 4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid?
4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid has a molecular weight of 437.92 g/mol, XLogP of 5.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid is sourced from PubChem (CID 58148767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).