(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide

C12H17ClN2O — CID 9410224

IUPAC(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-8(15-9(2)12(16)14-3)10-6-4-5-7-11(10)13/h4-9,15H,1-3H3,(H,14,16)/t8-,9-/m1/s1
InChIKeyPRVFDTVRMFNACD-RKDXNWHRSA-N
MW240.73 g/mol
LogP2.13
Rot. Bonds4

About (2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide

(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide (PubChem CID 9410224) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide
PubChem CID9410224
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-8(15-9(2)12(16)14-3)10-6-4-5-7-11(10)13/h4-9,15H,1-3H3,(H,14,16)/t8-,9-/m1/s1
InChIKeyPRVFDTVRMFNACD-RKDXNWHRSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9306303
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81378852
(2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide
CID 51925554
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide
CID 81383906
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81378293
2-(2-chlorophenyl)-2-hydroxy-N-methylacetamide
CID 23548439
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]propan-1-one
CID 60676820
(2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 9356593
2-[1-(2-chlorophenyl)ethylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168773
(2S)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8599075
2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772390

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide (CID 9410224) is (2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide is CNC(=O)[C@@H](C)N[C@H](C)c1ccccc1Cl.
What is the InChIKey of (2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide?
The InChIKey is PRVFDTVRMFNACD-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8(15-9(2)12(16)14-3)10-6-4-5-7-11(10)13/h4-9,15H,1-3H3,(H,14,16)/t8-,9-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide?
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide has a molecular weight of 240.73 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide is sourced from PubChem (CID 9410224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).