N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide

C19H23ClN2O3 — CID 120569162

IUPACN-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2cc(N)ccc2C)cc1OC
InChIInChI=1S/C19H23ClN2O3/c1-4-5-8-25-18-15(20)9-13(10-17(18)24-3)19(23)22-16-11-14(21)7-6-12(16)2/h6-7,9-11H,4-5,8,21H2,1-3H3,(H,22,23)
InChIKeyQAKMZUCBXUSJLA-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.67
Rot. Bonds7

About N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide

N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide (PubChem CID 120569162) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide
PubChem CID120569162
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC NameN-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2cc(N)ccc2C)cc1OC
InChIInChI=1S/C19H23ClN2O3/c1-4-5-8-25-18-15(20)9-13(10-17(18)24-3)19(23)22-16-11-14(21)7-6-12(16)2/h6-7,9-11H,4-5,8,21H2,1-3H3,(H,22,23)
InChIKeyQAKMZUCBXUSJLA-UHFFFAOYSA-N
XLogP4.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 120568311
N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide
CID 120568985
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide
CID 18288959
N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
CID 119420177
3-chloro-N-(4-chloro-2-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 26114663
N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide
CID 50883336
4-butoxy-3,5-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 18848350
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide
CID 18848417
3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide
CID 18848493
4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide
CID 7969022

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide (CID 120569162) is N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide is CCCCOc1c(Cl)cc(C(=O)Nc2cc(N)ccc2C)cc1OC.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide?
The InChIKey is QAKMZUCBXUSJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-4-5-8-25-18-15(20)9-13(10-17(18)24-3)19(23)22-16-11-14(21)7-6-12(16)2/h6-7,9-11H,4-5,8,21H2,1-3H3,(H,22,23).
What are the key properties of N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide?
N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide has a molecular weight of 362.86 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide is sourced from PubChem (CID 120569162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).