4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide

C17H13ClN4O4 — CID 48735941

IUPAC4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C17H13ClN4O4/c18-10-6-4-9(5-7-10)15(24)19-8-13(23)20-12-3-1-2-11-14(12)17(26)22-21-16(11)25/h1-7H,8H2,(H,19,24)(H,20,23)(H,21,25)(H,22,26)
InChIKeyQARTXMPCHJDGSD-UHFFFAOYSA-N
MW372.77 g/mol
LogP1.24
Rot. Bonds4

About 4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide

4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide (PubChem CID 48735941) has the molecular formula C17H13ClN4O4 and a molecular weight of 372.77 g/mol. Its IUPAC name is 4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide
PubChem CID48735941
Molecular FormulaC17H13ClN4O4
Molecular Weight372.77 g/mol
Exact Mass372.06
IUPAC Name4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C17H13ClN4O4/c18-10-6-4-9(5-7-10)15(24)19-8-13(23)20-12-3-1-2-11-14(12)17(26)22-21-16(11)25/h1-7H,8H2,(H,19,24)(H,20,23)(H,21,25)(H,22,26)
InChIKeyQARTXMPCHJDGSD-UHFFFAOYSA-N
XLogP1.24
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733
N-[3-[[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 49492296
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 48735974
N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 112997506
2-cyclohexyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide
CID 48735915
4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
CID 24709508
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-2,7-dimethylquinoline-3-carboxamide
CID 49492237
N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide
CID 48735845
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide
CID 94802760
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-oxobutanamide
CID 21449705
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide
CID 3993639

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide (CID 48735941) is 4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1)Nc1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of 4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is QARTXMPCHJDGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O4/c18-10-6-4-9(5-7-10)15(24)19-8-13(23)20-12-3-1-2-11-14(12)17(26)22-21-16(11)25/h1-7H,8H2,(H,19,24)(H,20,23)(H,21,25)(H,22,26).
What are the key properties of 4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide?
4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 372.77 g/mol, XLogP of 1.24, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 48735941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).