4-chloro-1-hydroxy-N'-(2-octyldodecanoyl)naphthalene-2-carbohydrazide

C31H47ClN2O3 — CID 20826661

IUPAC4-chloro-1-hydroxy-N'-(2-octyldodecanoyl)naphthalene-2-carbohydrazide
SMILESCCCCCCCCCCC(CCCCCCCC)C(=O)NNC(=O)c1cc(Cl)c2ccccc2c1O
InChIInChI=1S/C31H47ClN2O3/c1-3-5-7-9-11-12-14-16-20-24(19-15-13-10-8-6-4-2)30(36)33-34-31(37)27-23-28(32)25-21-17-18-22-26(25)29(27)35/h17-18,21-24,35H,3-16,19-20H2,1-2H3,(H,33,36)(H,34,37)
InChIKeyVDTZISPJWDFPRT-UHFFFAOYSA-N
MW531.18 g/mol
LogP8.86
Rot. Bonds18

About 4-chloro-1-hydroxy-N'-(2-octyldodecanoyl)naphthalene-2-carbohydrazide

4-chloro-1-hydroxy-N'-(2-octyldodecanoyl)naphthalene-2-carbohydrazide (PubChem CID 20826661) has the molecular formula C31H47ClN2O3 and a molecular weight of 531.18 g/mol. Its IUPAC name is 4-chloro-1-hydroxy-N'-(2-octyldodecanoyl)naphthalene-2-carbohydrazide.

Molecular Properties

Compound Name4-chloro-1-hydroxy-N'-(2-octyldodecanoyl)naphthalene-2-carbohydrazide
PubChem CID20826661
Molecular FormulaC31H47ClN2O3
Molecular Weight531.18 g/mol
Exact Mass530.33
IUPAC Name4-chloro-1-hydroxy-N'-(2-octyldodecanoyl)naphthalene-2-carbohydrazide
SMILESCCCCCCCCCCC(CCCCCCCC)C(=O)NNC(=O)c1cc(Cl)c2ccccc2c1O
InChIInChI=1S/C31H47ClN2O3/c1-3-5-7-9-11-12-14-16-20-24(19-15-13-10-8-6-4-2)30(36)33-34-31(37)27-23-28(32)25-21-17-18-22-26(25)29(27)35/h17-18,21-24,35H,3-16,19-20H2,1-2H3,(H,33,36)(H,34,37)
InChIKeyVDTZISPJWDFPRT-UHFFFAOYSA-N
XLogP8.86
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.18
LogP ≤ 58.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-1-N',5-N'-bis(2-hydroxybenzoyl)pentanedihydrazide
CID 101305980
2-butyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide
CID 86028913
1-N',7-N'-bis(3-heptyl-2-hydroxybenzoyl)-2-pentylheptanedihydrazide
CID 101307247
2-ethyl-1-N',5-N'-bis(2-hydroxy-3-octylbenzoyl)-4-pentylpentanedihydrazide
CID 101307423
2,7-diethyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide
CID 101305999
1-N',9-N'-bis(3-hexyl-2-hydroxybenzoyl)-2-propylnonanedihydrazide
CID 101307139
1-N',8-N'-bis(3-butyl-2-hydroxybenzoyl)-2,7-diethyloctanedihydrazide
CID 101306098
4-hydroxy-3-(octadecylcarbamoyl)naphthalene-1-sulfonic acid
CID 3709167
2-ethyl-1-N',7-N'-bis(2-hydroxy-3-pentylbenzoyl)-6-propylheptanedihydrazide
CID 101307087
2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide
CID 101307436
2-(2-hexadecylicosanoylamino)benzoic acid
CID 70149182
4-chloro-1-hydroxy-N-methyl-N-pentan-2-ylnaphthalene-2-carboxamide
CID 167881563

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-hydroxy-N'-(2-octyldodecanoyl)naphthalene-2-carbohydrazide?
The IUPAC name of 4-chloro-1-hydroxy-N'-(2-octyldodecanoyl)naphthalene-2-carbohydrazide (CID 20826661) is 4-chloro-1-hydroxy-N'-(2-octyldodecanoyl)naphthalene-2-carbohydrazide.
What is the SMILES notation for 4-chloro-1-hydroxy-N'-(2-octyldodecanoyl)naphthalene-2-carbohydrazide?
The canonical SMILES for 4-chloro-1-hydroxy-N'-(2-octyldodecanoyl)naphthalene-2-carbohydrazide is CCCCCCCCCCC(CCCCCCCC)C(=O)NNC(=O)c1cc(Cl)c2ccccc2c1O.
What is the InChIKey of 4-chloro-1-hydroxy-N'-(2-octyldodecanoyl)naphthalene-2-carbohydrazide?
The InChIKey is VDTZISPJWDFPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47ClN2O3/c1-3-5-7-9-11-12-14-16-20-24(19-15-13-10-8-6-4-2)30(36)33-34-31(37)27-23-28(32)25-21-17-18-22-26(25)29(27)35/h17-18,21-24,35H,3-16,19-20H2,1-2H3,(H,33,36)(H,34,37).
What are the key properties of 4-chloro-1-hydroxy-N'-(2-octyldodecanoyl)naphthalene-2-carbohydrazide?
4-chloro-1-hydroxy-N'-(2-octyldodecanoyl)naphthalene-2-carbohydrazide has a molecular weight of 531.18 g/mol, XLogP of 8.86, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-hydroxy-N'-(2-octyldodecanoyl)naphthalene-2-carbohydrazide is sourced from PubChem (CID 20826661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).