5-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylbenzamide;hydrochloride

C18H22Cl2N2O3 — CID 120623370

IUPAC5-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylbenzamide;hydrochloride
SMILESCCOc1c(Cl)cc(CNC(=O)c2cc(N)ccc2C)cc1OC.Cl
InChIInChI=1S/C18H21ClN2O3.ClH/c1-4-24-17-15(19)7-12(8-16(17)23-3)10-21-18(22)14-9-13(20)6-5-11(14)2;/h5-9H,4,10,20H2,1-3H3,(H,21,22);1H
InChIKeyXJHRRSYWFPGZRD-UHFFFAOYSA-N
MW385.29 g/mol
LogP3.99
Rot. Bonds6

About 5-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylbenzamide;hydrochloride

5-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylbenzamide;hydrochloride (PubChem CID 120623370) has the molecular formula C18H22Cl2N2O3 and a molecular weight of 385.29 g/mol. Its IUPAC name is 5-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylbenzamide;hydrochloride
PubChem CID120623370
Molecular FormulaC18H22Cl2N2O3
Molecular Weight385.29 g/mol
Exact Mass384.10
IUPAC Name5-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylbenzamide;hydrochloride
SMILESCCOc1c(Cl)cc(CNC(=O)c2cc(N)ccc2C)cc1OC.Cl
InChIInChI=1S/C18H21ClN2O3.ClH/c1-4-24-17-15(19)7-12(8-16(17)23-3)10-21-18(22)14-9-13(20)6-5-11(14)2;/h5-9H,4,10,20H2,1-3H3,(H,21,22);1H
InChIKeyXJHRRSYWFPGZRD-UHFFFAOYSA-N
XLogP3.99
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-iodobenzamide
CID 55892518
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 55892382
1,3-bis[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]urea
CID 166185875
3-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119293696
3-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]propanamide
CID 119293697
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60533347
5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride
CID 120633106
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119731406
5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide
CID 120644583
2-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 120667495
2-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpentanamide;hydrochloride
CID 119731450
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 55949411

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylbenzamide;hydrochloride (CID 120623370) is 5-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylbenzamide;hydrochloride is CCOc1c(Cl)cc(CNC(=O)c2cc(N)ccc2C)cc1OC.Cl.
What is the InChIKey of 5-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylbenzamide;hydrochloride?
The InChIKey is XJHRRSYWFPGZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3.ClH/c1-4-24-17-15(19)7-12(8-16(17)23-3)10-21-18(22)14-9-13(20)6-5-11(14)2;/h5-9H,4,10,20H2,1-3H3,(H,21,22);1H.
What are the key properties of 5-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylbenzamide;hydrochloride?
5-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylbenzamide;hydrochloride has a molecular weight of 385.29 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120623370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).