N-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide

C20H25ClN2O4 — CID 119421506

IUPACN-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1ccc(N)c(NC(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)c1
InChIInChI=1S/C20H25ClN2O4/c1-12(2)7-8-27-19-15(21)9-13(10-18(19)26-4)20(24)23-17-11-14(25-3)5-6-16(17)22/h5-6,9-12H,7-8,22H2,1-4H3,(H,23,24)
InChIKeyUJHOOQKBOAZGSD-UHFFFAOYSA-N
MW392.88 g/mol
LogP4.62
Rot. Bonds8

About N-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide

N-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide (PubChem CID 119421506) has the molecular formula C20H25ClN2O4 and a molecular weight of 392.88 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide
PubChem CID119421506
Molecular FormulaC20H25ClN2O4
Molecular Weight392.88 g/mol
Exact Mass392.15
IUPAC NameN-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1ccc(N)c(NC(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)c1
InChIInChI=1S/C20H25ClN2O4/c1-12(2)7-8-27-19-15(21)9-13(10-18(19)26-4)20(24)23-17-11-14(25-3)5-6-16(17)22/h5-6,9-12H,7-8,22H2,1-4H3,(H,23,24)
InChIKeyUJHOOQKBOAZGSD-UHFFFAOYSA-N
XLogP4.62
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide 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-(3-methylbutoxy)benzamide
CID 120568985
3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide
CID 26414165
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide
CID 27167034
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 55521138
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide;hydrochloride
CID 120508088
3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide
CID 18848417
3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide
CID 18848493
3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide
CID 60606249
N-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide
CID 119421306
N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide
CID 120569162
3-[[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249590
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119421240

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide (CID 119421506) is N-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide is COc1ccc(N)c(NC(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide?
The InChIKey is UJHOOQKBOAZGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4/c1-12(2)7-8-27-19-15(21)9-13(10-18(19)26-4)20(24)23-17-11-14(25-3)5-6-16(17)22/h5-6,9-12H,7-8,22H2,1-4H3,(H,23,24).
What are the key properties of N-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide?
N-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide has a molecular weight of 392.88 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 119421506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).