4-amino-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride

C19H24Cl2N2O4 — CID 119722929

IUPAC4-amino-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride
SMILESCCOCCOCc1cccc(NC(=O)c2cc(Cl)c(N)cc2OC)c1.Cl
InChIInChI=1S/C19H23ClN2O4.ClH/c1-3-25-7-8-26-12-13-5-4-6-14(9-13)22-19(23)15-10-16(20)17(21)11-18(15)24-2;/h4-6,9-11H,3,7-8,12,21H2,1-2H3,(H,22,23);1H
InChIKeyLBFBZXICFLGGJB-UHFFFAOYSA-N
MW415.32 g/mol
LogP4.16
Rot. Bonds9

About 4-amino-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride

4-amino-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride (PubChem CID 119722929) has the molecular formula C19H24Cl2N2O4 and a molecular weight of 415.32 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride
PubChem CID119722929
Molecular FormulaC19H24Cl2N2O4
Molecular Weight415.32 g/mol
Exact Mass414.11
IUPAC Name4-amino-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride
SMILESCCOCCOCc1cccc(NC(=O)c2cc(Cl)c(N)cc2OC)c1.Cl
InChIInChI=1S/C19H23ClN2O4.ClH/c1-3-25-7-8-26-12-13-5-4-6-14(9-13)22-19(23)15-10-16(20)17(21)11-18(15)24-2;/h4-6,9-11H,3,7-8,12,21H2,1-2H3,(H,22,23);1H
InChIKeyLBFBZXICFLGGJB-UHFFFAOYSA-N
XLogP4.16
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.16
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-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride
CID 119944525
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 119944526
2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 55932677
4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride
CID 119703658
4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide
CID 119804080
4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
CID 119289103
methyl 4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]phenoxy]butanoate;hydrochloride
CID 119784217
N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide
CID 78891809
4-amino-5-chloro-N-[[3-(diethylaminomethyl)phenyl]methyl]-2-methoxybenzamide;dihydrochloride
CID 119847474
4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide
CID 119841244
2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622317
5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55806733

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride (CID 119722929) is 4-amino-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride is CCOCCOCc1cccc(NC(=O)c2cc(Cl)c(N)cc2OC)c1.Cl.
What is the InChIKey of 4-amino-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride?
The InChIKey is LBFBZXICFLGGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4.ClH/c1-3-25-7-8-26-12-13-5-4-6-14(9-13)22-19(23)15-10-16(20)17(21)11-18(15)24-2;/h4-6,9-11H,3,7-8,12,21H2,1-2H3,(H,22,23);1H.
What are the key properties of 4-amino-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride?
4-amino-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride has a molecular weight of 415.32 g/mol, XLogP of 4.16, 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-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119722929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).