methyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate

C19H15ClN2O3 — CID 34160976

IUPACmethyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cccc(-n3cccc3)c2)ccc1Cl
InChIInChI=1S/C19H15ClN2O3/c1-25-19(24)16-12-14(7-8-17(16)20)21-18(23)13-5-4-6-15(11-13)22-9-2-3-10-22/h2-12H,1H3,(H,21,23)
InChIKeyGBKOIDZNBQFQBQ-UHFFFAOYSA-N
MW354.79 g/mol
LogP4.17
Rot. Bonds4

About methyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate

methyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate (PubChem CID 34160976) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is methyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate
PubChem CID34160976
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Namemethyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cccc(-n3cccc3)c2)ccc1Cl
InChIInChI=1S/C19H15ClN2O3/c1-25-19(24)16-12-14(7-8-17(16)20)21-18(23)13-5-4-6-15(11-13)22-9-2-3-10-22/h2-12H,1H3,(H,21,23)
InChIKeyGBKOIDZNBQFQBQ-UHFFFAOYSA-N
XLogP4.17
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-5-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 34160272
methyl 2-hydroxy-3-[(3-pyrrol-1-ylbenzoyl)amino]benzoate
CID 56543187
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide
CID 17466747
methyl 2-chloro-5-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]benzoate
CID 34163624
N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide
CID 16610347
methyl 2-chloro-5-[[3-(3-imidazol-1-ylpropanoylamino)benzoyl]amino]benzoate
CID 55985393
N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide
CID 60605662
methyl 2-chloro-5-[(2-phenyltriazole-4-carbonyl)amino]benzoate
CID 134003458
3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide
CID 110726291
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pyrrol-1-ylbenzamide
CID 26702412
methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate
CID 38239113
N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide
CID 27826709

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate (CID 34160976) is methyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate is COC(=O)c1cc(NC(=O)c2cccc(-n3cccc3)c2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate?
The InChIKey is GBKOIDZNBQFQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-25-19(24)16-12-14(7-8-17(16)20)21-18(23)13-5-4-6-15(11-13)22-9-2-3-10-22/h2-12H,1H3,(H,21,23).
What are the key properties of methyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate?
methyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate has a molecular weight of 354.79 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate is sourced from PubChem (CID 34160976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).