(2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide

C13H16Cl2N2O — CID 66568232

IUPAC(2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide
SMILESC[C@H](N)C(=O)N(Cc1cc(Cl)ccc1Cl)C1CC1
InChIInChI=1S/C13H16Cl2N2O/c1-8(16)13(18)17(11-3-4-11)7-9-6-10(14)2-5-12(9)15/h2,5-6,8,11H,3-4,7,16H2,1H3/t8-/m0/s1
InChIKeyXBNBLYDUTXHWFL-QMMMGPOBSA-N
MW287.19 g/mol
LogP2.83
Rot. Bonds4

About (2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide

(2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide (PubChem CID 66568232) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide
PubChem CID66568232
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name(2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide
SMILESC[C@H](N)C(=O)N(Cc1cc(Cl)ccc1Cl)C1CC1
InChIInChI=1S/C13H16Cl2N2O/c1-8(16)13(18)17(11-3-4-11)7-9-6-10(14)2-5-12(9)15/h2,5-6,8,11H,3-4,7,16H2,1H3/t8-/m0/s1
InChIKeyXBNBLYDUTXHWFL-QMMMGPOBSA-N
XLogP2.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide
CID 66568175
(2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119284890
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 66568347
N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
CID 11602353
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54995705
(2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119286967
(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238
2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide
CID 77144541
2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide
CID 66568195
(2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide
CID 61163913
3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 62669636

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide (CID 66568232) is (2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide is C[C@H](N)C(=O)N(Cc1cc(Cl)ccc1Cl)C1CC1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide?
The InChIKey is XBNBLYDUTXHWFL-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-8(16)13(18)17(11-3-4-11)7-9-6-10(14)2-5-12(9)15/h2,5-6,8,11H,3-4,7,16H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide?
(2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide has a molecular weight of 287.19 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide is sourced from PubChem (CID 66568232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).