4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide

C20H25ClN2O4 — CID 119811646

IUPAC4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide
SMILESCOCCCOc1cc(C)ccc1CNC(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C20H25ClN2O4/c1-13-5-6-14(18(9-13)27-8-4-7-25-2)12-23-20(24)15-10-16(21)17(22)11-19(15)26-3/h5-6,9-11H,4,7-8,12,22H2,1-3H3,(H,23,24)
InChIKeyQQSHXFMMDRMYTI-UHFFFAOYSA-N
MW392.88 g/mol
LogP3.58
Rot. Bonds9

About 4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide

4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide (PubChem CID 119811646) has the molecular formula C20H25ClN2O4 and a molecular weight of 392.88 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide
PubChem CID119811646
Molecular FormulaC20H25ClN2O4
Molecular Weight392.88 g/mol
Exact Mass392.15
IUPAC Name4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide
SMILESCOCCCOc1cc(C)ccc1CNC(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C20H25ClN2O4/c1-13-5-6-14(18(9-13)27-8-4-7-25-2)12-23-20(24)15-10-16(21)17(22)11-19(15)26-3/h5-6,9-11H,4,7-8,12,22H2,1-3H3,(H,23,24)
InChIKeyQQSHXFMMDRMYTI-UHFFFAOYSA-N
XLogP3.58
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]acetamide;hydrochloride
CID 119811607
5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide
CID 120637316
methyl 5-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 119731058
4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide
CID 119835495
4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide
CID 119892903
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide
CID 119734954
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
2-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methylpentanamide
CID 119811650
4-amino-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methoxybenzamide
CID 3078817
4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride
CID 119797688
2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpropanamide
CID 119339379

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide (CID 119811646) is 4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide is COCCCOc1cc(C)ccc1CNC(=O)c1cc(Cl)c(N)cc1OC.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide?
The InChIKey is QQSHXFMMDRMYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4/c1-13-5-6-14(18(9-13)27-8-4-7-25-2)12-23-20(24)15-10-16(21)17(22)11-19(15)26-3/h5-6,9-11H,4,7-8,12,22H2,1-3H3,(H,23,24).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide?
4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide has a molecular weight of 392.88 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide is sourced from PubChem (CID 119811646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).