(2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide

C14H16ClN3O3 — CID 9384048

IUPAC(2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide
SMILESCC(C)NC(=O)NC(=O)[C@H](C)Oc1ccc(C#N)cc1Cl
InChIInChI=1S/C14H16ClN3O3/c1-8(2)17-14(20)18-13(19)9(3)21-12-5-4-10(7-16)6-11(12)15/h4-6,8-9H,1-3H3,(H2,17,18,19,20)/t9-/m0/s1
InChIKeyOJTFLGQXMNRFQN-VIFPVBQESA-N
MW309.75 g/mol
LogP2.21
Rot. Bonds4

About (2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide

(2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide (PubChem CID 9384048) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is (2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide
PubChem CID9384048
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name(2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide
SMILESCC(C)NC(=O)NC(=O)[C@H](C)Oc1ccc(C#N)cc1Cl
InChIInChI=1S/C14H16ClN3O3/c1-8(2)17-14(20)18-13(19)9(3)21-12-5-4-10(7-16)6-11(12)15/h4-6,8-9H,1-3H3,(H2,17,18,19,20)/t9-/m0/s1
InChIKeyOJTFLGQXMNRFQN-VIFPVBQESA-N
XLogP2.21
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide
CID 60667398
2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide
CID 60667353
(2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide
CID 9384043
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
CID 8976802
2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide
CID 60720963
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 8976528
(2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide
CID 8976471
(2R)-2-(2-chloro-4-cyanophenoxy)-N-(3-methylphenyl)propanamide
CID 8976723
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 9383960
(2R)-2-(2-chloro-4-cyanophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
CID 11935435
2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
CID 8976290
3-(2-chloro-4-cyanophenoxy)butanoic acid
CID 43536234

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide (CID 9384048) is (2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide is CC(C)NC(=O)NC(=O)[C@H](C)Oc1ccc(C#N)cc1Cl.
What is the InChIKey of (2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide?
The InChIKey is OJTFLGQXMNRFQN-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-8(2)17-14(20)18-13(19)9(3)21-12-5-4-10(7-16)6-11(12)15/h4-6,8-9H,1-3H3,(H2,17,18,19,20)/t9-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide?
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide has a molecular weight of 309.75 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide is sourced from PubChem (CID 9384048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).