2-[(4-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide

C19H20ClIN2O3 — CID 132677805

IUPAC2-[(4-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(I)cc1
InChIInChI=1S/C19H20ClIN2O3/c1-13(19(25)22-2)23(11-14-3-5-15(20)6-4-14)18(24)12-26-17-9-7-16(21)8-10-17/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyKHONDJGPWOWAET-UHFFFAOYSA-N
MW486.74 g/mol
LogP3.49
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide

2-[(4-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide (PubChem CID 132677805) has the molecular formula C19H20ClIN2O3 and a molecular weight of 486.74 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide
PubChem CID132677805
Molecular FormulaC19H20ClIN2O3
Molecular Weight486.74 g/mol
Exact Mass486.02
IUPAC Name2-[(4-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(I)cc1
InChIInChI=1S/C19H20ClIN2O3/c1-13(19(25)22-2)23(11-14-3-5-15(20)6-4-14)18(24)12-26-17-9-7-16(21)8-10-17/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyKHONDJGPWOWAET-UHFFFAOYSA-N
XLogP3.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.74
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide
CID 132623804
(2S)-2-[(3-bromophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide
CID 100644017
2-[[2-(4-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-methylbutanamide
CID 132663458
(2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 100568123
2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide
CID 132651116
(2R)-2-[[2-(4-iodophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100528759
2-[(4-chlorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-methylbutanamide
CID 132665371
N-butyl-2-[[2-(4-iodophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132732321
N-[(4-chlorophenyl)methyl]-4-(4-methoxyphenoxy)-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 132665871
2-[[2-(4-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132659703
2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-methylpropanamide
CID 132667214
2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
CID 132656360

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide (CID 132677805) is 2-[(4-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide is CNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(I)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide?
The InChIKey is KHONDJGPWOWAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClIN2O3/c1-13(19(25)22-2)23(11-14-3-5-15(20)6-4-14)18(24)12-26-17-9-7-16(21)8-10-17/h3-10,13H,11-12H2,1-2H3,(H,22,25).
What are the key properties of 2-[(4-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide?
2-[(4-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide has a molecular weight of 486.74 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 132677805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).