3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide

C17H20Cl2N4O4 — CID 9218955

IUPAC3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C17H20Cl2N4O4/c18-12-6-5-11(8-13(12)19)17(27)20-9-14(24)21-22-15(25)10-23-7-3-1-2-4-16(23)26/h5-6,8H,1-4,7,9-10H2,(H,20,27)(H,21,24)(H,22,25)
InChIKeyIZCPNTABMRKUJK-UHFFFAOYSA-N
MW415.28 g/mol
LogP1.27
Rot. Bonds5

About 3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide

3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide (PubChem CID 9218955) has the molecular formula C17H20Cl2N4O4 and a molecular weight of 415.28 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide
PubChem CID9218955
Molecular FormulaC17H20Cl2N4O4
Molecular Weight415.28 g/mol
Exact Mass414.09
IUPAC Name3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C17H20Cl2N4O4/c18-12-6-5-11(8-13(12)19)17(27)20-9-14(24)21-22-15(25)10-23-7-3-1-2-4-16(23)26/h5-6,8H,1-4,7,9-10H2,(H,20,27)(H,21,24)(H,22,25)
InChIKeyIZCPNTABMRKUJK-UHFFFAOYSA-N
XLogP1.27
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802534
N'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9185791
N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide
CID 9218953
5-chloro-2-fluoro-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 9093083
3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide
CID 55694248
4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 8623673
4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 2394384
4-methylsulfonyl-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 9218921
3-nitro-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 9218965
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727549
4-(3,4-dimethylphenyl)-4-oxo-N'-[2-(2-oxoazepan-1-yl)acetyl]butanehydrazide
CID 9186151

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide (CID 9218955) is 3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NNC(=O)CN1CCCCCC1=O.
What is the InChIKey of 3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide?
The InChIKey is IZCPNTABMRKUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O4/c18-12-6-5-11(8-13(12)19)17(27)20-9-14(24)21-22-15(25)10-23-7-3-1-2-4-16(23)26/h5-6,8H,1-4,7,9-10H2,(H,20,27)(H,21,24)(H,22,25).
What are the key properties of 3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide?
3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide has a molecular weight of 415.28 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 9218955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).