2,2-dichloro-3-phenylpropanamide

C9H9Cl2NO — CID 21425793

IUPAC2,2-dichloro-3-phenylpropanamide
SMILESNC(=O)C(Cl)(Cl)Cc1ccccc1
InChIInChI=1S/C9H9Cl2NO/c10-9(11,8(12)13)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,13)
InChIKeyKBTXWXQDKVGEAU-UHFFFAOYSA-N
MW218.08 g/mol
LogP1.89
Rot. Bonds3

About 2,2-dichloro-3-phenylpropanamide

2,2-dichloro-3-phenylpropanamide (PubChem CID 21425793) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is 2,2-dichloro-3-phenylpropanamide.

Molecular Properties

Compound Name2,2-dichloro-3-phenylpropanamide
PubChem CID21425793
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name2,2-dichloro-3-phenylpropanamide
SMILESNC(=O)C(Cl)(Cl)Cc1ccccc1
InChIInChI=1S/C9H9Cl2NO/c10-9(11,8(12)13)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,13)
InChIKeyKBTXWXQDKVGEAU-UHFFFAOYSA-N
XLogP1.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-2-chloro-3-phenylpropanoic acid
CID 21116120
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
(2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid
CID 62705603
(2S)-2-benzyl-2,3-dihydroxypropanamide
CID 67629888
(1,1,1-trichloro-2-hydroxy-3-phenylpropan-2-yl) carbamate
CID 175549972
(2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide
CID 135070263
2-amino-2-benzylhexanamide
CID 174812463
2-benzyl-2-propylpropanediamide
CID 131715569
(2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid
CID 66992934
4,4-dichloro-2,2-dimethyl-1-phenylpentan-3-one
CID 15444576
2,4-dibenzyl-2,4-dichloro-1,5-difluoropentan-3-one
CID 139716581
2-benzyl-3-chloro-2,3-dihydroxybutanedioic acid
CID 142633010

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-3-phenylpropanamide?
The IUPAC name of 2,2-dichloro-3-phenylpropanamide (CID 21425793) is 2,2-dichloro-3-phenylpropanamide.
What is the SMILES notation for 2,2-dichloro-3-phenylpropanamide?
The canonical SMILES for 2,2-dichloro-3-phenylpropanamide is NC(=O)C(Cl)(Cl)Cc1ccccc1.
What is the InChIKey of 2,2-dichloro-3-phenylpropanamide?
The InChIKey is KBTXWXQDKVGEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c10-9(11,8(12)13)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,13).
What are the key properties of 2,2-dichloro-3-phenylpropanamide?
2,2-dichloro-3-phenylpropanamide has a molecular weight of 218.08 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-3-phenylpropanamide is sourced from PubChem (CID 21425793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).