2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide

C13H19ClN2O — CID 55024294

IUPAC2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-9(2)16-13(17)10(3)15-8-11-5-4-6-12(14)7-11/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyCUPNOAGLMINPGL-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.34
Rot. Bonds5

About 2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide

2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 55024294) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide
PubChem CID55024294
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-9(2)16-13(17)10(3)15-8-11-5-4-6-12(14)7-11/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyCUPNOAGLMINPGL-UHFFFAOYSA-N
XLogP2.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 55024264
2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406685
2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide
CID 54896649
(2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 94613388
1-(azepan-1-yl)-2-[(3-chlorophenyl)methylamino]propan-1-one
CID 60677398
(2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide
CID 2608999
2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406683
2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide
CID 119127733
N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide
CID 62637658
(1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine
CID 97321615
1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine
CID 65025963
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide
CID 70795299

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide (CID 55024294) is 2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NCc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is CUPNOAGLMINPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(2)16-13(17)10(3)15-8-11-5-4-6-12(14)7-11/h4-7,9-10,15H,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide?
2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 254.76 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 55024294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).