N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide

C22H19ClN2O4 — CID 1247989

IUPACN-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Cl)cc1NC(=O)COc1ccccc1
InChIInChI=1S/C22H19ClN2O4/c23-16-11-12-19(24-21(26)14-28-17-7-3-1-4-8-17)20(13-16)25-22(27)15-29-18-9-5-2-6-10-18/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyPOBUKUSWBPBMIF-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.38
Rot. Bonds8

About N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide

N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide (PubChem CID 1247989) has the molecular formula C22H19ClN2O4 and a molecular weight of 410.86 g/mol. Its IUPAC name is N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
PubChem CID1247989
Molecular FormulaC22H19ClN2O4
Molecular Weight410.86 g/mol
Exact Mass410.10
IUPAC NameN-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Cl)cc1NC(=O)COc1ccccc1
InChIInChI=1S/C22H19ClN2O4/c23-16-11-12-19(24-21(26)14-28-17-7-3-1-4-8-17)20(13-16)25-22(27)15-29-18-9-5-2-6-10-18/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyPOBUKUSWBPBMIF-UHFFFAOYSA-N
XLogP4.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]-2-phenoxyacetamide
CID 2954030
3,4-bis[(2-phenoxyacetyl)amino]benzoate
CID 3511141
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 1293205
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid
CID 66680457
2-(4-benzoylphenoxy)-N-(4-chloro-2-methylphenyl)acetamide
CID 7717727
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872
2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide
CID 39183990
N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)acetamide
CID 2707661
N-(2-benzoyl-4-chlorophenyl)-2-(4-phenylphenoxy)acetamide
CID 19169901
2-(3-chlorophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2633081
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 4783296

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide (CID 1247989) is N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(Cl)cc1NC(=O)COc1ccccc1.
What is the InChIKey of N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide?
The InChIKey is POBUKUSWBPBMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O4/c23-16-11-12-19(24-21(26)14-28-17-7-3-1-4-8-17)20(13-16)25-22(27)15-29-18-9-5-2-6-10-18/h1-13H,14-15H2,(H,24,26)(H,25,27).
What are the key properties of N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide?
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide has a molecular weight of 410.86 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 1247989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).