4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide

C20H26ClN3O3 — CID 119841244

IUPAC4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide
SMILESCCN(CC)CCOc1ccc(NC(=O)c2cc(Cl)c(N)cc2OC)cc1
InChIInChI=1S/C20H26ClN3O3/c1-4-24(5-2)10-11-27-15-8-6-14(7-9-15)23-20(25)16-12-17(21)18(22)13-19(16)26-3/h6-9,12-13H,4-5,10-11,22H2,1-3H3,(H,23,25)
InChIKeyGDUVTMGAPACXDM-UHFFFAOYSA-N
MW391.90 g/mol
LogP3.90
Rot. Bonds9

About 4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide

4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide (PubChem CID 119841244) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide
PubChem CID119841244
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide
SMILESCCN(CC)CCOc1ccc(NC(=O)c2cc(Cl)c(N)cc2OC)cc1
InChIInChI=1S/C20H26ClN3O3/c1-4-24(5-2)10-11-27-15-8-6-14(7-9-15)23-20(25)16-12-17(21)18(22)13-19(16)26-3/h6-9,12-13H,4-5,10-11,22H2,1-3H3,(H,23,25)
InChIKeyGDUVTMGAPACXDM-UHFFFAOYSA-N
XLogP3.90
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]phenoxy]butanoate;hydrochloride
CID 119784217
4-amino-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methoxybenzamide
CID 3078817
2-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzamide
CID 70967827
4-amino-5-chloro-N-(4-cyclopentyloxyphenyl)-2-methoxybenzamide
CID 119714813
4-amino-5-chloro-2-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide;hydrochloride
CID 119689180
4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride
CID 119703658
N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 912703
4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 119780348
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide
CID 14116928
4-amino-5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methoxybenzamide
CID 119891303
4-amino-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride
CID 119722929
(2S)-2-amino-N-[4-[2-(diethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide
CID 119841222

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide (CID 119841244) is 4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide is CCN(CC)CCOc1ccc(NC(=O)c2cc(Cl)c(N)cc2OC)cc1.
What is the InChIKey of 4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide?
The InChIKey is GDUVTMGAPACXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-4-24(5-2)10-11-27-15-8-6-14(7-9-15)23-20(25)16-12-17(21)18(22)13-19(16)26-3/h6-9,12-13H,4-5,10-11,22H2,1-3H3,(H,23,25).
What are the key properties of 4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide?
4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide has a molecular weight of 391.90 g/mol, XLogP of 3.90, 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-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 119841244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).