N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide

C23H23ClN2O3 — CID 54823702

IUPACN-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(OCCc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C23H23ClN2O3/c1-28-22-12-9-19(15-21(22)24)26-23(27)16-25-18-7-10-20(11-8-18)29-14-13-17-5-3-2-4-6-17/h2-12,15,25H,13-14,16H2,1H3,(H,26,27)
InChIKeyUNFAAKDCOJWGDE-UHFFFAOYSA-N
MW410.90 g/mol
LogP5.02
Rot. Bonds9

About N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide (PubChem CID 54823702) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
PubChem CID54823702
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(OCCc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C23H23ClN2O3/c1-28-22-12-9-19(15-21(22)24)26-23(27)16-25-18-7-10-20(11-8-18)29-14-13-17-5-3-2-4-6-17/h2-12,15,25H,13-14,16H2,1H3,(H,26,27)
InChIKeyUNFAAKDCOJWGDE-UHFFFAOYSA-N
XLogP5.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.90
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 54819265
N-(3-chloro-4-methoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822051
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
2-(4-ethoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54811684
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide
CID 17134395
N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54843765
2-(3-chloro-4-methoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54819290
N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822610
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9468421
N-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628178

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide (CID 54823702) is N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide is COc1ccc(NC(=O)CNc2ccc(OCCc3ccccc3)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide?
The InChIKey is UNFAAKDCOJWGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c1-28-22-12-9-19(15-21(22)24)26-23(27)16-25-18-7-10-20(11-8-18)29-14-13-17-5-3-2-4-6-17/h2-12,15,25H,13-14,16H2,1H3,(H,26,27).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide has a molecular weight of 410.90 g/mol, XLogP of 5.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide is sourced from PubChem (CID 54823702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).