(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide

C12H17ClN2O — CID 78973445

IUPAC(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
SMILESCCN(Cc1ccccc1Cl)C(=O)[C@@H](C)N
InChIInChI=1S/C12H17ClN2O/c1-3-15(12(16)9(2)14)8-10-6-4-5-7-11(10)13/h4-7,9H,3,8,14H2,1-2H3/t9-/m1/s1
InChIKeySUFJDIZOCSCBHQ-SECBINFHSA-N
MW240.73 g/mol
LogP2.04
Rot. Bonds4

About (2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide

(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide (PubChem CID 78973445) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
PubChem CID78973445
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
SMILESCCN(Cc1ccccc1Cl)C(=O)[C@@H](C)N
InChIInChI=1S/C12H17ClN2O/c1-3-15(12(16)9(2)14)8-10-6-4-5-7-11(10)13/h4-7,9H,3,8,14H2,1-2H3/t9-/m1/s1
InChIKeySUFJDIZOCSCBHQ-SECBINFHSA-N
XLogP2.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 103929207
N-[(2-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514772
3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265237
2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 77144451
2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119289283
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119300447
N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 112823548
4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide
CID 63308077
4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide
CID 107074472
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
3-amino-N-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)propanamide
CID 39367425

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide?
The IUPAC name of (2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide (CID 78973445) is (2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide is CCN(Cc1ccccc1Cl)C(=O)[C@@H](C)N.
What is the InChIKey of (2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide?
The InChIKey is SUFJDIZOCSCBHQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-15(12(16)9(2)14)8-10-6-4-5-7-11(10)13/h4-7,9H,3,8,14H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide?
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide has a molecular weight of 240.73 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide is sourced from PubChem (CID 78973445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).