(2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide

C13H20ClN3O — CID 103813583

IUPAC(2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1cccc(Cl)c1N(C)C
InChIInChI=1S/C13H20ClN3O/c1-4-6-10(15)13(18)16-11-8-5-7-9(14)12(11)17(2)3/h5,7-8,10H,4,6,15H2,1-3H3,(H,16,18)/t10-/m1/s1
InChIKeyHUGIQBFGBCFXBV-SNVBAGLBSA-N
MW269.78 g/mol
LogP2.47
Rot. Bonds5

About (2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide

(2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide (PubChem CID 103813583) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide
PubChem CID103813583
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name(2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1cccc(Cl)c1N(C)C
InChIInChI=1S/C13H20ClN3O/c1-4-6-10(15)13(18)16-11-8-5-7-9(14)12(11)17(2)3/h5,7-8,10H,4,6,15H2,1-3H3,(H,16,18)/t10-/m1/s1
InChIKeyHUGIQBFGBCFXBV-SNVBAGLBSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide
CID 61154949
ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate
CID 61061554
(2S)-2-amino-N-(2-chlorophenyl)hexanamide
CID 103830834
2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide
CID 43695727
2-amino-N-(2-chloro-6-methylphenyl)pentanamide
CID 66254750
(2R)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]pentanamide
CID 107568545
(2S)-2-[[3-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N-propylpropanamide
CID 94194163
(2R)-2-amino-N-(2-chloro-6-fluorophenyl)pentanamide
CID 107570747
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide
CID 107570097
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide
CID 107568364
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea
CID 110894267
(2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide
CID 107568445

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide (CID 103813583) is (2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide is CCC[C@@H](N)C(=O)Nc1cccc(Cl)c1N(C)C.
What is the InChIKey of (2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide?
The InChIKey is HUGIQBFGBCFXBV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-6-10(15)13(18)16-11-8-5-7-9(14)12(11)17(2)3/h5,7-8,10H,4,6,15H2,1-3H3,(H,16,18)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide?
(2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide has a molecular weight of 269.78 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]pentanamide is sourced from PubChem (CID 103813583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).