2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide

C11H14Cl2N2O — CID 43700084

IUPAC2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
SMILESCC(Cl)C(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C11H14Cl2N2O/c1-7(12)11(16)14-9-6-8(13)4-5-10(9)15(2)3/h4-7H,1-3H3,(H,14,16)
InChIKeySRWSSYRPELSXRA-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.97
Rot. Bonds3

About 2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide

2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide (PubChem CID 43700084) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
PubChem CID43700084
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
SMILESCC(Cl)C(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C11H14Cl2N2O/c1-7(12)11(16)14-9-6-8(13)4-5-10(9)15(2)3/h4-7H,1-3H3,(H,14,16)
InChIKeySRWSSYRPELSXRA-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.97
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

3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 55104508
N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide
CID 43700570
1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 111435033
(2S)-2-[[5-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N,N-dimethylpropanamide
CID 99835829
N-(2-bromo-5-chlorophenyl)-2-chloropropanamide
CID 81264583
N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79204123
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95773531
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide
CID 112687413
N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 131935802
N-[5-chloro-2-(dimethylamino)phenyl]-2-imidazol-1-ylpropanamide
CID 56784832
2-chloro-N-[1-[5-chloro-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 112764584

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide?
The IUPAC name of 2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide (CID 43700084) is 2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for 2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide?
The canonical SMILES for 2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide is CC(Cl)C(=O)Nc1cc(Cl)ccc1N(C)C.
What is the InChIKey of 2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide?
The InChIKey is SRWSSYRPELSXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-7(12)11(16)14-9-6-8(13)4-5-10(9)15(2)3/h4-7H,1-3H3,(H,14,16).
What are the key properties of 2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide?
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide has a molecular weight of 261.15 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 43700084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).