N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(2-methylpropoxy)benzamide

C18H18ClN3O4 — CID 4929895

IUPACN-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C18H18ClN3O4/c1-12(2)11-26-16-6-3-13(4-7-16)18(23)21-20-10-14-9-15(22(24)25)5-8-17(14)19/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeyLXQBENYHLWFSSM-UHFFFAOYSA-N
MW375.81 g/mol
LogP4.05
Rot. Bonds7

About N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(2-methylpropoxy)benzamide

N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(2-methylpropoxy)benzamide (PubChem CID 4929895) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(2-methylpropoxy)benzamide
PubChem CID4929895
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC NameN-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C18H18ClN3O4/c1-12(2)11-26-16-6-3-13(4-7-16)18(23)21-20-10-14-9-15(22(24)25)5-8-17(14)19/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeyLXQBENYHLWFSSM-UHFFFAOYSA-N
XLogP4.05
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 5417751
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide
CID 9016544
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927415
4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide
CID 5390798
4-(2-amino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 3828860
4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4930536
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998216
N-[(E)-(2-bromo-4-nitrophenyl)methylideneamino]-4-propoxybenzamide
CID 133169663
1,3-bis[(E)-(2-chloro-5-nitrophenyl)methylideneamino]urea
CID 126842911
N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506613
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 3098486
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-4-ethoxybenzamide
CID 9215198

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(2-methylpropoxy)benzamide (CID 4929895) is N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)cc1.
What is the InChIKey of N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(2-methylpropoxy)benzamide?
The InChIKey is LXQBENYHLWFSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-12(2)11-26-16-6-3-13(4-7-16)18(23)21-20-10-14-9-15(22(24)25)5-8-17(14)19/h3-10,12H,11H2,1-2H3,(H,21,23).
What are the key properties of N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(2-methylpropoxy)benzamide?
N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(2-methylpropoxy)benzamide has a molecular weight of 375.81 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 4929895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).