5-chloro-N-(heptylideneamino)-2-methoxybenzamide

C15H21ClN2O2 — CID 4192386

IUPAC5-chloro-N-(heptylideneamino)-2-methoxybenzamide
SMILESCCCCCCC=NNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H21ClN2O2/c1-3-4-5-6-7-10-17-18-15(19)13-11-12(16)8-9-14(13)20-2/h8-11H,3-7H2,1-2H3,(H,18,19)
InChIKeyUEWALLJKIKQKHU-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.03
Rot. Bonds8

About 5-chloro-N-(heptylideneamino)-2-methoxybenzamide

5-chloro-N-(heptylideneamino)-2-methoxybenzamide (PubChem CID 4192386) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-chloro-N-(heptylideneamino)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(heptylideneamino)-2-methoxybenzamide
PubChem CID4192386
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name5-chloro-N-(heptylideneamino)-2-methoxybenzamide
SMILESCCCCCCC=NNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H21ClN2O2/c1-3-4-5-6-7-10-17-18-15(19)13-11-12(16)8-9-14(13)20-2/h8-11H,3-7H2,1-2H3,(H,18,19)
InChIKeyUEWALLJKIKQKHU-UHFFFAOYSA-N
XLogP4.03
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
3-chloro-N-(nonylideneamino)benzamide
CID 3638264
2-(4-chloro-2-methylphenoxy)-N-(heptylideneamino)propanamide
CID 4233087
1-(5-chloro-2-methoxyphenyl)octan-1-one
CID 112698728
5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 4109085
5-chloro-2-methoxy-N-(propan-2-ylideneamino)benzamide
CID 3614530
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982
N-(4-butylphenyl)-5-chloro-2-methoxybenzamide
CID 3544721
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide
CID 6737092
5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide
CID 6894279
5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 840452
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(heptylideneamino)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(heptylideneamino)-2-methoxybenzamide (CID 4192386) is 5-chloro-N-(heptylideneamino)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(heptylideneamino)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(heptylideneamino)-2-methoxybenzamide is CCCCCCC=NNC(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-N-(heptylideneamino)-2-methoxybenzamide?
The InChIKey is UEWALLJKIKQKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-4-5-6-7-10-17-18-15(19)13-11-12(16)8-9-14(13)20-2/h8-11H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 5-chloro-N-(heptylideneamino)-2-methoxybenzamide?
5-chloro-N-(heptylideneamino)-2-methoxybenzamide has a molecular weight of 296.80 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(heptylideneamino)-2-methoxybenzamide is sourced from PubChem (CID 4192386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).