2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid

C18H20ClN3O2 — CID 6013982

IUPAC2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid
SMILESCCN(CC)c1ccc(/C=N\Nc2ccc(Cl)c(C(=O)O)c2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-3-22(4-2)15-8-5-13(6-9-15)12-20-21-14-7-10-17(19)16(11-14)18(23)24/h5-12,21H,3-4H2,1-2H3,(H,23,24)/b20-12-
InChIKeyGYOFTPBDKZJKCY-NDENLUEZSA-N
MW345.83 g/mol
LogP4.33
Rot. Bonds7

About 2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid

2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid (PubChem CID 6013982) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid
PubChem CID6013982
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid
SMILESCCN(CC)c1ccc(/C=N\Nc2ccc(Cl)c(C(=O)O)c2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-3-22(4-2)15-8-5-13(6-9-15)12-20-21-14-7-10-17(19)16(11-14)18(23)24/h5-12,21H,3-4H2,1-2H3,(H,23,24)/b20-12-
InChIKeyGYOFTPBDKZJKCY-NDENLUEZSA-N
XLogP4.33
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline
CID 110506082
3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline
CID 78576663
2-chloro-5-(diethylamino)benzoic acid
CID 79695041
N-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide
CID 19658700
2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 6034971
N-(3-chloro-4-methylphenyl)-N'-[[4-(diethylamino)phenyl]methylideneamino]oxamide
CID 3477063
4-[2-[[4-[ethyl(4-hydroxybutyl)amino]phenyl]methylidene]hydrazinyl]benzoic acid
CID 164863185
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid
CID 6310893
N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline
CID 164880427
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
2-chloro-4-(diethylamino)benzoic acid
CID 62945761

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid (CID 6013982) is 2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid is CCN(CC)c1ccc(/C=N\Nc2ccc(Cl)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid?
The InChIKey is GYOFTPBDKZJKCY-NDENLUEZSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-3-22(4-2)15-8-5-13(6-9-15)12-20-21-14-7-10-17(19)16(11-14)18(23)24/h5-12,21H,3-4H2,1-2H3,(H,23,24)/b20-12-.
What are the key properties of 2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid?
2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid has a molecular weight of 345.83 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 6013982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).