2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid

C16H13Cl2NO5 — CID 16776960

IUPAC2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(C(=O)O)cc1OC
InChIInChI=1S/C16H13Cl2NO5/c1-23-13-6-9(16(21)22)12(7-14(13)24-2)19-15(20)8-3-4-10(17)11(18)5-8/h3-7H,1-2H3,(H,19,20)(H,21,22)
InChIKeySHFXQCSKLQLVBP-UHFFFAOYSA-N
MW370.19 g/mol
LogP3.96
Rot. Bonds5

About 2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid

2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid (PubChem CID 16776960) has the molecular formula C16H13Cl2NO5 and a molecular weight of 370.19 g/mol. Its IUPAC name is 2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
PubChem CID16776960
Molecular FormulaC16H13Cl2NO5
Molecular Weight370.19 g/mol
Exact Mass369.02
IUPAC Name2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(C(=O)O)cc1OC
InChIInChI=1S/C16H13Cl2NO5/c1-23-13-6-9(16(21)22)12(7-14(13)24-2)19-15(20)8-3-4-10(17)11(18)5-8/h3-7H,1-2H3,(H,19,20)(H,21,22)
InChIKeySHFXQCSKLQLVBP-UHFFFAOYSA-N
XLogP3.96
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16777026
2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid
CID 84552965
4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
CID 10382905
4,5-dimethoxy-2-[(4-methoxy-3-nitrobenzoyl)amino]benzoic acid
CID 1260419
3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid
CID 28668233
4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid
CID 16771039
2-[[4-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 135428050
2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid
CID 28545385
3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376
5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 45429951
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide
CID 17443015

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid?
The IUPAC name of 2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid (CID 16776960) is 2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid?
The canonical SMILES for 2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid is COc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(C(=O)O)cc1OC.
What is the InChIKey of 2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid?
The InChIKey is SHFXQCSKLQLVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO5/c1-23-13-6-9(16(21)22)12(7-14(13)24-2)19-15(20)8-3-4-10(17)11(18)5-8/h3-7H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid?
2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid has a molecular weight of 370.19 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 16776960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).