N-(4-amino-3,5-dichlorophenyl)-2-benzhydryloxyacetamide

C21H18Cl2N2O2 — CID 46665176

IUPACN-(4-amino-3,5-dichlorophenyl)-2-benzhydryloxyacetamide
SMILESNc1c(Cl)cc(NC(=O)COC(c2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C21H18Cl2N2O2/c22-17-11-16(12-18(23)20(17)24)25-19(26)13-27-21(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,21H,13,24H2,(H,25,26)
InChIKeyNQLIIBZJLHAUQH-UHFFFAOYSA-N
MW401.29 g/mol
LogP5.32
Rot. Bonds6

About N-(4-amino-3,5-dichlorophenyl)-2-benzhydryloxyacetamide

N-(4-amino-3,5-dichlorophenyl)-2-benzhydryloxyacetamide (PubChem CID 46665176) has the molecular formula C21H18Cl2N2O2 and a molecular weight of 401.29 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-2-benzhydryloxyacetamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-2-benzhydryloxyacetamide
PubChem CID46665176
Molecular FormulaC21H18Cl2N2O2
Molecular Weight401.29 g/mol
Exact Mass400.07
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-2-benzhydryloxyacetamide
SMILESNc1c(Cl)cc(NC(=O)COC(c2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C21H18Cl2N2O2/c22-17-11-16(12-18(23)20(17)24)25-19(26)13-27-21(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,21H,13,24H2,(H,25,26)
InChIKeyNQLIIBZJLHAUQH-UHFFFAOYSA-N
XLogP5.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.29
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3,5-dichlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 51193233
2-benzhydryloxy-N-[4-(sulfamoylmethyl)phenyl]acetamide
CID 55552074
N-(4-amino-3,5-dichlorophenyl)-2-(2-chlorophenyl)acetamide
CID 46665625
2-benzhydryloxy-N-(2-hydroxyphenyl)acetamide
CID 51284445
N-[3-(benzenesulfonamido)phenyl]-2-benzhydryloxyacetamide
CID 55721516
(2-anilino-2-oxoethyl) 2-amino-3-chlorobenzoate
CID 17414413
N-(4-amino-3,5-dichlorophenyl)-2-naphthalen-2-ylacetamide
CID 27161017
N-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide
CID 28866941
2-benzhydryloxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 46616642
N-(4-amino-3,5-dichlorophenyl)-3-(1,3-benzothiazol-2-yl)propanamide
CID 27161149
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-anilinobenzoate
CID 3694895
(2-anilino-2-oxoethyl) 3,3-diphenylpropanoate
CID 7795395

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2-benzhydryloxyacetamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2-benzhydryloxyacetamide (CID 46665176) is N-(4-amino-3,5-dichlorophenyl)-2-benzhydryloxyacetamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-2-benzhydryloxyacetamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-2-benzhydryloxyacetamide is Nc1c(Cl)cc(NC(=O)COC(c2ccccc2)c2ccccc2)cc1Cl.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-2-benzhydryloxyacetamide?
The InChIKey is NQLIIBZJLHAUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O2/c22-17-11-16(12-18(23)20(17)24)25-19(26)13-27-21(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,21H,13,24H2,(H,25,26).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-2-benzhydryloxyacetamide?
N-(4-amino-3,5-dichlorophenyl)-2-benzhydryloxyacetamide has a molecular weight of 401.29 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-2-benzhydryloxyacetamide is sourced from PubChem (CID 46665176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).