(2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide

C16H24ClNO2 — CID 40537766

IUPAC(2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide
SMILESCCCCC[C@@H](C)NC(=O)[C@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C16H24ClNO2/c1-4-5-6-8-12(2)18-16(19)13(3)20-15-10-7-9-14(17)11-15/h7,9-13H,4-6,8H2,1-3H3,(H,18,19)/t12-,13+/m1/s1
InChIKeyGIBCRBMOULWAPI-OLZOCXBDSA-N
MW297.83 g/mol
LogP4.19
Rot. Bonds8

About (2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide

(2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide (PubChem CID 40537766) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide
PubChem CID40537766
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide
SMILESCCCCC[C@@H](C)NC(=O)[C@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C16H24ClNO2/c1-4-5-6-8-12(2)18-16(19)13(3)20-15-10-7-9-14(17)11-15/h7,9-13H,4-6,8H2,1-3H3,(H,18,19)/t12-,13+/m1/s1
InChIKeyGIBCRBMOULWAPI-OLZOCXBDSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenoxy)-N-heptan-2-ylpropanamide
CID 4097223
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide
CID 120505567
(2R)-2-(3-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2169959
2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide
CID 4098989
2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 78780294
ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate
CID 47368061
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
N-(1-bromo-3-methylbutan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 114316058
(2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 99953946
N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2933438
2-(3-chlorophenoxy)propanehydrazide
CID 2832641

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide (CID 40537766) is (2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide is CCCCC[C@@H](C)NC(=O)[C@H](C)Oc1cccc(Cl)c1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide?
The InChIKey is GIBCRBMOULWAPI-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-4-5-6-8-12(2)18-16(19)13(3)20-15-10-7-9-14(17)11-15/h7,9-13H,4-6,8H2,1-3H3,(H,18,19)/t12-,13+/m1/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide?
(2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide has a molecular weight of 297.83 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide is sourced from PubChem (CID 40537766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).