N-(4-amino-5-chloro-2-methylphenyl)-2-methyl-2-phenylpropanamide

C17H19ClN2O — CID 104667517

IUPACN-(4-amino-5-chloro-2-methylphenyl)-2-methyl-2-phenylpropanamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-11-9-14(19)13(18)10-15(11)20-16(21)17(2,3)12-7-5-4-6-8-12/h4-10H,19H2,1-3H3,(H,20,21)
InChIKeyBOBSERWFWKFEDL-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.15
Rot. Bonds3

About N-(4-amino-5-chloro-2-methylphenyl)-2-methyl-2-phenylpropanamide

N-(4-amino-5-chloro-2-methylphenyl)-2-methyl-2-phenylpropanamide (PubChem CID 104667517) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-methylphenyl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-methylphenyl)-2-methyl-2-phenylpropanamide
PubChem CID104667517
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(4-amino-5-chloro-2-methylphenyl)-2-methyl-2-phenylpropanamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-11-9-14(19)13(18)10-15(11)20-16(21)17(2,3)12-7-5-4-6-8-12/h4-10H,19H2,1-3H3,(H,20,21)
InChIKeyBOBSERWFWKFEDL-UHFFFAOYSA-N
XLogP4.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2,5-dimethylphenyl)-2-methyl-2-phenylpropanamide
CID 103144554
N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 113438955
N-(3-amino-2,6-dimethylphenyl)-2-methyl-2-phenylpropanamide
CID 24694780
2-(4-chlorophenyl)-N-(5-hydroxy-2,4-dimethylphenyl)-2-methylpropanamide
CID 167970243
N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
CID 104667512
N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
CID 104667459
N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 104667416
N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide
CID 9096519
N-(5-chloro-2-cyanophenyl)-2-methyl-2-phenylpropanamide
CID 60628690
N-(2-ethylphenyl)-2-methyl-2-phenylpropanamide
CID 8839434
N-(4-amino-5-chloro-2-methylphenyl)-2-(3-hydroxyphenyl)acetamide
CID 104667363
2-(4-aminophenyl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide
CID 80549657

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-2-methyl-2-phenylpropanamide (CID 104667517) is N-(4-amino-5-chloro-2-methylphenyl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-methylphenyl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(4-amino-5-chloro-2-methylphenyl)-2-methyl-2-phenylpropanamide is Cc1cc(N)c(Cl)cc1NC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of N-(4-amino-5-chloro-2-methylphenyl)-2-methyl-2-phenylpropanamide?
The InChIKey is BOBSERWFWKFEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-9-14(19)13(18)10-15(11)20-16(21)17(2,3)12-7-5-4-6-8-12/h4-10H,19H2,1-3H3,(H,20,21).
What are the key properties of N-(4-amino-5-chloro-2-methylphenyl)-2-methyl-2-phenylpropanamide?
N-(4-amino-5-chloro-2-methylphenyl)-2-methyl-2-phenylpropanamide has a molecular weight of 302.81 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-chloro-2-methylphenyl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 104667517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).