4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide

C22H19ClN2O2 — CID 171441081

IUPAC4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(CN(C(=O)CCl)c2ccccc2)cc1
InChIInChI=1S/C22H19ClN2O2/c23-15-21(26)25(20-9-5-2-6-10-20)16-17-11-13-18(14-12-17)22(27)24-19-7-3-1-4-8-19/h1-14H,15-16H2,(H,24,27)
InChIKeyARCSNYWBXUQMBY-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.71
Rot. Bonds6

About 4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide

4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide (PubChem CID 171441081) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide
PubChem CID171441081
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(CN(C(=O)CCl)c2ccccc2)cc1
InChIInChI=1S/C22H19ClN2O2/c23-15-21(26)25(20-9-5-2-6-10-20)16-17-11-13-18(14-12-17)22(27)24-19-7-3-1-4-8-19/h1-14H,15-16H2,(H,24,27)
InChIKeyARCSNYWBXUQMBY-UHFFFAOYSA-N
XLogP4.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid
CID 134584304
N-[4-[(N-methylanilino)methyl]phenyl]benzamide
CID 170063802
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide
CID 78821935
4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide
CID 1363161
2-chloro-N-(hydroxymethyl)-N-phenylacetamide
CID 19762880
4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide
CID 8692819
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826
4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide
CID 11417056
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide
CID 55891914

Frequently Asked Questions

What is the IUPAC name of 4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide?
The IUPAC name of 4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide (CID 171441081) is 4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide?
The canonical SMILES for 4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(CN(C(=O)CCl)c2ccccc2)cc1.
What is the InChIKey of 4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide?
The InChIKey is ARCSNYWBXUQMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c23-15-21(26)25(20-9-5-2-6-10-20)16-17-11-13-18(14-12-17)22(27)24-19-7-3-1-4-8-19/h1-14H,15-16H2,(H,24,27).
What are the key properties of 4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide?
4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide has a molecular weight of 378.86 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-(2-chloroacetyl)anilino)methyl]-N-phenylbenzamide is sourced from PubChem (CID 171441081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).