N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride

C19H24Cl2N2O4 — CID 119420177

IUPACN-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ccc(OC)c(N)c2)cc1OC.Cl
InChIInChI=1S/C19H23ClN2O4.ClH/c1-4-5-8-26-18-14(20)9-12(10-17(18)25-3)19(23)22-13-6-7-16(24-2)15(21)11-13;/h6-7,9-11H,4-5,8,21H2,1-3H3,(H,22,23);1H
InChIKeyRTYVVWRNAGHYJM-UHFFFAOYSA-N
MW415.32 g/mol
LogP4.79
Rot. Bonds8

About N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride (PubChem CID 119420177) has the molecular formula C19H24Cl2N2O4 and a molecular weight of 415.32 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
PubChem CID119420177
Molecular FormulaC19H24Cl2N2O4
Molecular Weight415.32 g/mol
Exact Mass414.11
IUPAC NameN-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ccc(OC)c(N)c2)cc1OC.Cl
InChIInChI=1S/C19H23ClN2O4.ClH/c1-4-5-8-26-18-14(20)9-12(10-17(18)25-3)19(23)22-13-6-7-16(24-2)15(21)11-13;/h6-7,9-11H,4-5,8,21H2,1-3H3,(H,22,23);1H
InChIKeyRTYVVWRNAGHYJM-UHFFFAOYSA-N
XLogP4.79
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.79
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

4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide
CID 7969022
N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 33309669
4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide
CID 18266478
N-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide
CID 70436318
N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide
CID 50878655
3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide
CID 9102560
3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26694948
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide
CID 120569162
butyl 4-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]benzoate
CID 24590767
4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide
CID 18288959
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride (CID 119420177) is N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride is CCCCOc1c(Cl)cc(C(=O)Nc2ccc(OC)c(N)c2)cc1OC.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride?
The InChIKey is RTYVVWRNAGHYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4.ClH/c1-4-5-8-26-18-14(20)9-12(10-17(18)25-3)19(23)22-13-6-7-16(24-2)15(21)11-13;/h6-7,9-11H,4-5,8,21H2,1-3H3,(H,22,23);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride has a molecular weight of 415.32 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119420177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).