2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide

C21H17Cl2N3O2 — CID 46553550

IUPAC2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H17Cl2N3O2/c22-15-7-6-14(19(23)13-15)12-20(27)24-17-8-10-18(11-9-17)26-21(28)25-16-4-2-1-3-5-16/h1-11,13H,12H2,(H,24,27)(H2,25,26,28)
InChIKeyHDOUPUBYQJDDQW-UHFFFAOYSA-N
MW414.29 g/mol
LogP5.82
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide

2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide (PubChem CID 46553550) has the molecular formula C21H17Cl2N3O2 and a molecular weight of 414.29 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
PubChem CID46553550
Molecular FormulaC21H17Cl2N3O2
Molecular Weight414.29 g/mol
Exact Mass413.07
IUPAC Name2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H17Cl2N3O2/c22-15-7-6-14(19(23)13-15)12-20(27)24-17-8-10-18(11-9-17)26-21(28)25-16-4-2-1-3-5-16/h1-11,13H,12H2,(H,24,27)(H2,25,26,28)
InChIKeyHDOUPUBYQJDDQW-UHFFFAOYSA-N
XLogP5.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.29
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914224
N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide
CID 17235520
N-(3-acetamidophenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914502
2-(2,4-dichlorophenyl)-N-(3-iodophenyl)acetamide
CID 7928403
2-[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide
CID 111197646
4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 55802304
N-(4-bromo-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7959233
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide
CID 18225429
N-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide
CID 55697658
2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 30857739
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide (CID 46553550) is 2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide is O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
The InChIKey is HDOUPUBYQJDDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O2/c22-15-7-6-14(19(23)13-15)12-20(27)24-17-8-10-18(11-9-17)26-21(28)25-16-4-2-1-3-5-16/h1-11,13H,12H2,(H,24,27)(H2,25,26,28).
What are the key properties of 2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide has a molecular weight of 414.29 g/mol, XLogP of 5.82, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 46553550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).