2,2-dichloro-N,N'-diphenylpropanediamide

C15H12Cl2N2O2 — CID 14712481

IUPAC2,2-dichloro-N,N'-diphenylpropanediamide
SMILESO=C(Nc1ccccc1)C(Cl)(Cl)C(=O)Nc1ccccc1
InChIInChI=1S/C15H12Cl2N2O2/c16-15(17,13(20)18-11-7-3-1-4-8-11)14(21)19-12-9-5-2-6-10-12/h1-10H,(H,18,20)(H,19,21)
InChIKeyULSGKBHIKTUMOQ-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.44
Rot. Bonds4

About 2,2-dichloro-N,N'-diphenylpropanediamide

2,2-dichloro-N,N'-diphenylpropanediamide (PubChem CID 14712481) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is 2,2-dichloro-N,N'-diphenylpropanediamide.

Molecular Properties

Compound Name2,2-dichloro-N,N'-diphenylpropanediamide
PubChem CID14712481
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC Name2,2-dichloro-N,N'-diphenylpropanediamide
SMILESO=C(Nc1ccccc1)C(Cl)(Cl)C(=O)Nc1ccccc1
InChIInChI=1S/C15H12Cl2N2O2/c16-15(17,13(20)18-11-7-3-1-4-8-11)14(21)19-12-9-5-2-6-10-12/h1-10H,(H,18,20)(H,19,21)
InChIKeyULSGKBHIKTUMOQ-UHFFFAOYSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-4-hydroxy-N-phenylbutanamide
CID 23345439
1-[dichloro-(phenylcarbamoylamino)methyl]-3-phenylurea
CID 3516475
2-chloro-2-methoxy-N-phenylbutanamide
CID 21464678
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029
2,3-dichloro-2-methyl-N-phenylpentanamide
CID 154355250
2,2,2-trichloro-N-(4-phenoxyphenyl)acetamide
CID 4117087
3-methoxy-2,2-dimethyl-N-phenylpropanamide
CID 70245295
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethyl-1-N,3-N,5-N,7-N,9-N,11-N,13-N,15-N,17-N,19-N,21-N,23-N,25-N,27-N,29-N-pentadecakis-phenyltriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxamide
CID 88975553
5-anilino-4,4-dimethyl-5-oxopentanoic acid
CID 826118
2-anilino-N,2,2-triphenylacetamide
CID 2168373
2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
CID 9556
N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide
CID 90850690

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N,N'-diphenylpropanediamide?
The IUPAC name of 2,2-dichloro-N,N'-diphenylpropanediamide (CID 14712481) is 2,2-dichloro-N,N'-diphenylpropanediamide.
What is the SMILES notation for 2,2-dichloro-N,N'-diphenylpropanediamide?
The canonical SMILES for 2,2-dichloro-N,N'-diphenylpropanediamide is O=C(Nc1ccccc1)C(Cl)(Cl)C(=O)Nc1ccccc1.
What is the InChIKey of 2,2-dichloro-N,N'-diphenylpropanediamide?
The InChIKey is ULSGKBHIKTUMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c16-15(17,13(20)18-11-7-3-1-4-8-11)14(21)19-12-9-5-2-6-10-12/h1-10H,(H,18,20)(H,19,21).
What are the key properties of 2,2-dichloro-N,N'-diphenylpropanediamide?
2,2-dichloro-N,N'-diphenylpropanediamide has a molecular weight of 323.18 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N,N'-diphenylpropanediamide is sourced from PubChem (CID 14712481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).