4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-2-hydroxybenzoic acid

C17H14ClNO6 — CID 4898151

IUPAC4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc3c(cc2Cl)OCCCO3)cc1O
InChIInChI=1S/C17H14ClNO6/c18-12-8-15-14(24-4-1-5-25-15)7-11(12)16(21)19-9-2-3-10(17(22)23)13(20)6-9/h2-3,6-8,20H,1,4-5H2,(H,19,21)(H,22,23)
InChIKeyMAMATGMGHXXRIB-UHFFFAOYSA-N
MW363.75 g/mol
LogP3.16
Rot. Bonds3

About 4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-2-hydroxybenzoic acid

4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-2-hydroxybenzoic acid (PubChem CID 4898151) has the molecular formula C17H14ClNO6 and a molecular weight of 363.75 g/mol. Its IUPAC name is 4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-2-hydroxybenzoic acid
PubChem CID4898151
Molecular FormulaC17H14ClNO6
Molecular Weight363.75 g/mol
Exact Mass363.05
IUPAC Name4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc3c(cc2Cl)OCCCO3)cc1O
InChIInChI=1S/C17H14ClNO6/c18-12-8-15-14(24-4-1-5-25-15)7-11(12)16(21)19-9-2-3-10(17(22)23)13(20)6-9/h2-3,6-8,20H,1,4-5H2,(H,19,21)(H,22,23)
InChIKeyMAMATGMGHXXRIB-UHFFFAOYSA-N
XLogP3.16
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.75
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-2-hydroxybenzoic acid with MolForge

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Related Compounds

7-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 4902176
4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 107095827
2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107013493
4-[(5-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 82877635
4-[[3-[(4-carboxy-3-hydroxyphenyl)carbamoyl]-2,5-dihydroxybenzoyl]amino]-2-hydroxybenzoic acid
CID 156760534
4-[(3-chloro-4-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 28669002
5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 28723038
4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 43358268
4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid
CID 106850976
4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid
CID 51034535
N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-fluorobenzamide
CID 9191596
4-benzamidosalicylic acid, calcium salt
CID 126959845

Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-2-hydroxybenzoic acid (CID 4898151) is 4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-2-hydroxybenzoic acid is O=C(O)c1ccc(NC(=O)c2cc3c(cc2Cl)OCCCO3)cc1O.
What is the InChIKey of 4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-2-hydroxybenzoic acid?
The InChIKey is MAMATGMGHXXRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO6/c18-12-8-15-14(24-4-1-5-25-15)7-11(12)16(21)19-9-2-3-10(17(22)23)13(20)6-9/h2-3,6-8,20H,1,4-5H2,(H,19,21)(H,22,23).
What are the key properties of 4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-2-hydroxybenzoic acid?
4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-2-hydroxybenzoic acid has a molecular weight of 363.75 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 4898151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).