(2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide

C18H16ClN3O3 — CID 9384043

IUPAC(2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide
SMILESC[C@H](Oc1ccc(C#N)cc1Cl)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H16ClN3O3/c1-12(25-16-8-7-14(10-20)9-15(16)19)17(23)22-18(24)21-11-13-5-3-2-4-6-13/h2-9,12H,11H2,1H3,(H2,21,22,23,24)/t12-/m0/s1
InChIKeySRVRKWLBYXLCDX-LBPRGKRZSA-N
MW357.80 g/mol
LogP3.00
Rot. Bonds5

About (2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide

(2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide (PubChem CID 9384043) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is (2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide
PubChem CID9384043
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name(2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide
SMILESC[C@H](Oc1ccc(C#N)cc1Cl)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H16ClN3O3/c1-12(25-16-8-7-14(10-20)9-15(16)19)17(23)22-18(24)21-11-13-5-3-2-4-6-13/h2-9,12H,11H2,1H3,(H2,21,22,23,24)/t12-/m0/s1
InChIKeySRVRKWLBYXLCDX-LBPRGKRZSA-N
XLogP3.00
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide
CID 9384048
N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide
CID 60667398
(2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7681327
2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide
CID 60667353
2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide
CID 60720963
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8856985
N-(benzylcarbamothioyl)-2-(2,4-dichlorophenoxy)propanamide
CID 5188319
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
CID 8976802
2-(4-cyano-2-fluorophenoxy)-N-(ethylcarbamoyl)propanamide
CID 107670449
(2S)-N-(benzylcarbamoyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947335
N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide
CID 60571534
(2R)-2-(2-chloro-4-cyanophenoxy)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 9384005

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide?
The IUPAC name of (2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide (CID 9384043) is (2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide?
The canonical SMILES for (2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide is C[C@H](Oc1ccc(C#N)cc1Cl)C(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of (2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide?
The InChIKey is SRVRKWLBYXLCDX-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-12(25-16-8-7-14(10-20)9-15(16)19)17(23)22-18(24)21-11-13-5-3-2-4-6-13/h2-9,12H,11H2,1H3,(H2,21,22,23,24)/t12-/m0/s1.
What are the key properties of (2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide?
(2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide has a molecular weight of 357.80 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide is sourced from PubChem (CID 9384043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).