5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide

C17H17ClN2O5 — CID 108540887

IUPAC5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C17H17ClN2O5/c1-25-15-3-2-11(18)8-14(15)17(24)20-5-4-19-16(23)10-6-12(21)9-13(22)7-10/h2-3,6-9,21-22H,4-5H2,1H3,(H,19,23)(H,20,24)
InChIKeyKZOUWDIJINVZIJ-UHFFFAOYSA-N
MW364.79 g/mol
LogP1.92
Rot. Bonds6

About 5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide

5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide (PubChem CID 108540887) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is 5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide
PubChem CID108540887
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC Name5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C17H17ClN2O5/c1-25-15-3-2-11(18)8-14(15)17(24)20-5-4-19-16(23)10-6-12(21)9-13(22)7-10/h2-3,6-9,21-22H,4-5H2,1H3,(H,19,23)(H,20,24)
InChIKeyKZOUWDIJINVZIJ-UHFFFAOYSA-N
XLogP1.92
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994768
5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108540892
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 108540845
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide
CID 108572238
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108572251
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide
CID 114297830

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide (CID 108540887) is 5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCNC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of 5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide?
The InChIKey is KZOUWDIJINVZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5/c1-25-15-3-2-11(18)8-14(15)17(24)20-5-4-19-16(23)10-6-12(21)9-13(22)7-10/h2-3,6-9,21-22H,4-5H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide?
5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide has a molecular weight of 364.79 g/mol, XLogP of 1.92, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 108540887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).