N-(4-benzoylphenyl)-2,3-dichloropropanamide

C16H13Cl2NO2 — CID 57282831

IUPACN-(4-benzoylphenyl)-2,3-dichloropropanamide
SMILESO=C(c1ccccc1)c1ccc(NC(=O)C(Cl)CCl)cc1
InChIInChI=1S/C16H13Cl2NO2/c17-10-14(18)16(21)19-13-8-6-12(7-9-13)15(20)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,19,21)
InChIKeyMEXRRLTXVIVTBM-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.70
Rot. Bonds5

About N-(4-benzoylphenyl)-2,3-dichloropropanamide

N-(4-benzoylphenyl)-2,3-dichloropropanamide (PubChem CID 57282831) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is N-(4-benzoylphenyl)-2,3-dichloropropanamide.

Molecular Properties

Compound NameN-(4-benzoylphenyl)-2,3-dichloropropanamide
PubChem CID57282831
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC NameN-(4-benzoylphenyl)-2,3-dichloropropanamide
SMILESO=C(c1ccccc1)c1ccc(NC(=O)C(Cl)CCl)cc1
InChIInChI=1S/C16H13Cl2NO2/c17-10-14(18)16(21)19-13-8-6-12(7-9-13)15(20)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,19,21)
InChIKeyMEXRRLTXVIVTBM-UHFFFAOYSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.70
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

2-chloro-2-[(2-chlorophenyl)methylamino]-N-[4-(3,4-dichlorobenzoyl)phenyl]acetamide
CID 69077883
(2S)-2,4-dichloro-3-oxo-N-phenylbutanamide
CID 98058305
2-chloro-N-phenylpent-4-ynamide
CID 154290930
4-[(3-chloro-2-methylpropanoyl)amino]benzoic acid
CID 62727614
N-(4-benzoylphenyl)pyridine-2-carboxamide
CID 157248993
2-chloro-N-(4-fluorophenyl)-3-oxo-3-phenylpropanamide
CID 4736856
diphenylmethanone
CID 3102
(2R)-N-(4-benzoylphenyl)-2-(4-methylphenoxy)propanamide
CID 1019881
(E)-4-(4-benzoylanilino)-4-oxobut-2-enoic acid
CID 707781
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
N-(4-benzoylphenyl)-2-[[(2R)-1-hydroxypentan-2-yl]amino]acetamide
CID 125463843
[4-(benzylamino)phenyl]-phenylmethanone
CID 11208443

Frequently Asked Questions

What is the IUPAC name of N-(4-benzoylphenyl)-2,3-dichloropropanamide?
The IUPAC name of N-(4-benzoylphenyl)-2,3-dichloropropanamide (CID 57282831) is N-(4-benzoylphenyl)-2,3-dichloropropanamide.
What is the SMILES notation for N-(4-benzoylphenyl)-2,3-dichloropropanamide?
The canonical SMILES for N-(4-benzoylphenyl)-2,3-dichloropropanamide is O=C(c1ccccc1)c1ccc(NC(=O)C(Cl)CCl)cc1.
What is the InChIKey of N-(4-benzoylphenyl)-2,3-dichloropropanamide?
The InChIKey is MEXRRLTXVIVTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c17-10-14(18)16(21)19-13-8-6-12(7-9-13)15(20)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,19,21).
What are the key properties of N-(4-benzoylphenyl)-2,3-dichloropropanamide?
N-(4-benzoylphenyl)-2,3-dichloropropanamide has a molecular weight of 322.19 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoylphenyl)-2,3-dichloropropanamide is sourced from PubChem (CID 57282831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).