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

C20H25ClN2O3 — CID 120568985

IUPACN-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)Nc2cc(N)ccc2C)cc(Cl)c1OCCC(C)C
InChIInChI=1S/C20H25ClN2O3/c1-12(2)7-8-26-19-16(21)9-14(10-18(19)25-4)20(24)23-17-11-15(22)6-5-13(17)3/h5-6,9-12H,7-8,22H2,1-4H3,(H,23,24)
InChIKeyWLNNMDXKRLGZOQ-UHFFFAOYSA-N
MW376.88 g/mol
LogP4.92
Rot. Bonds7

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

N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide (PubChem CID 120568985) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide
PubChem CID120568985
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC NameN-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)Nc2cc(N)ccc2C)cc(Cl)c1OCCC(C)C
InChIInChI=1S/C20H25ClN2O3/c1-12(2)7-8-26-19-16(21)9-14(10-18(19)25-4)20(24)23-17-11-15(22)6-5-13(17)3/h5-6,9-12H,7-8,22H2,1-4H3,(H,23,24)
InChIKeyWLNNMDXKRLGZOQ-UHFFFAOYSA-N
XLogP4.92
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-methylphenyl)-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-propoxybenzamide
CID 120568311
N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide
CID 120569162
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide
CID 27167034
3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide
CID 26414165
N-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide
CID 119421506
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 55521138
3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
CID 2599000
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide;hydrochloride
CID 120508088
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide
CID 50883336
3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide
CID 60606249
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide (CID 120568985) is N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide is COc1cc(C(=O)Nc2cc(N)ccc2C)cc(Cl)c1OCCC(C)C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide?
The InChIKey is WLNNMDXKRLGZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-12(2)7-8-26-19-16(21)9-14(10-18(19)25-4)20(24)23-17-11-15(22)6-5-13(17)3/h5-6,9-12H,7-8,22H2,1-4H3,(H,23,24).
What are the key properties of N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide?
N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide has a molecular weight of 376.88 g/mol, XLogP of 4.92, 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)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 120568985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).