N-[(2-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide

C19H21BrN2O4 — CID 3979901

IUPACN-[(2-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide
SMILESCCCOc1cc(Br)c(C=NNC(=O)c2cccc(OC)c2)cc1OC
InChIInChI=1S/C19H21BrN2O4/c1-4-8-26-18-11-16(20)14(10-17(18)25-3)12-21-22-19(23)13-6-5-7-15(9-13)24-2/h5-7,9-12H,4,8H2,1-3H3,(H,22,23)
InChIKeyQKQHGRNSUFMHNO-UHFFFAOYSA-N
MW421.29 g/mol
LogP4.02
Rot. Bonds8

About N-[(2-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide

N-[(2-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide (PubChem CID 3979901) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide
PubChem CID3979901
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC NameN-[(2-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide
SMILESCCCOc1cc(Br)c(C=NNC(=O)c2cccc(OC)c2)cc1OC
InChIInChI=1S/C19H21BrN2O4/c1-4-8-26-18-11-16(20)14(10-17(18)25-3)12-21-22-19(23)13-6-5-7-15(9-13)24-2/h5-7,9-12H,4,8H2,1-3H3,(H,22,23)
InChIKeyQKQHGRNSUFMHNO-UHFFFAOYSA-N
XLogP4.02
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
3,5-dibromo-N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 3448520
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 137172581
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 9016566
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide
CID 5430767
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 5430724
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 9015072
N-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide
CID 126273932
N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 110505995
N-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126338966
N-[(E)-(2-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-4-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzamide
CID 126367735

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[(2-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide (CID 3979901) is N-[(2-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[(2-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[(2-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide is CCCOc1cc(Br)c(C=NNC(=O)c2cccc(OC)c2)cc1OC.
What is the InChIKey of N-[(2-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide?
The InChIKey is QKQHGRNSUFMHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-4-8-26-18-11-16(20)14(10-17(18)25-3)12-21-22-19(23)13-6-5-7-15(9-13)24-2/h5-7,9-12H,4,8H2,1-3H3,(H,22,23).
What are the key properties of N-[(2-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide?
N-[(2-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide has a molecular weight of 421.29 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 3979901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).