(2S)-2-(2-chlorophenoxy)-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]propanamide

C16H23ClN2O2 — CID 95776756

IUPAC(2S)-2-(2-chlorophenoxy)-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCC[C@@H]1N(C)C
InChIInChI=1S/C16H23ClN2O2/c1-11(21-15-10-5-4-7-12(15)17)16(20)18-13-8-6-9-14(13)19(2)3/h4-5,7,10-11,13-14H,6,8-9H2,1-3H3,(H,18,20)/t11-,13-,14-/m0/s1
InChIKeyTZHXCKALVMCYNN-UBHSHLNASA-N
MW310.82 g/mol
LogP2.71
Rot. Bonds5

About (2S)-2-(2-chlorophenoxy)-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]propanamide

(2S)-2-(2-chlorophenoxy)-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]propanamide (PubChem CID 95776756) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]propanamide
PubChem CID95776756
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCC[C@@H]1N(C)C
InChIInChI=1S/C16H23ClN2O2/c1-11(21-15-10-5-4-7-12(15)17)16(20)18-13-8-6-9-14(13)19(2)3/h4-5,7,10-11,13-14H,6,8-9H2,1-3H3,(H,18,20)/t11-,13-,14-/m0/s1
InChIKeyTZHXCKALVMCYNN-UBHSHLNASA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119387688
2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119451437
[1-[1-[[2-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]oxynaphthalen-2-yl] acetate
CID 57321173
(2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815946
2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 46581771
(2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide
CID 97252685
(2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide
CID 94797430
2-(2-chlorophenoxy)-N-(4-cyclopentyloxyphenyl)propanamide
CID 132654197
(2S)-N-cyclopentyl-2-(2-methoxyphenoxy)propanamide
CID 42082135
N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761291
N-cyclohexyl-2-(2-methoxyphenoxy)propanamide
CID 5003306
(2S)-2-(2-chloro-4-phenylphenoxy)-N-cyclopentylpropanamide
CID 7652970

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]propanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]propanamide (CID 95776756) is (2S)-2-(2-chlorophenoxy)-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]propanamide is C[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCC[C@@H]1N(C)C.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]propanamide?
The InChIKey is TZHXCKALVMCYNN-UBHSHLNASA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11(21-15-10-5-4-7-12(15)17)16(20)18-13-8-6-9-14(13)19(2)3/h4-5,7,10-11,13-14H,6,8-9H2,1-3H3,(H,18,20)/t11-,13-,14-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]propanamide?
(2S)-2-(2-chlorophenoxy)-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]propanamide has a molecular weight of 310.82 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]propanamide is sourced from PubChem (CID 95776756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).