N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide

C11H10ClN3O3 — CID 60667398

IUPACN-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide
SMILESCC(Oc1ccc(C#N)cc1Cl)C(=O)NC(N)=O
InChIInChI=1S/C11H10ClN3O3/c1-6(10(16)15-11(14)17)18-9-3-2-7(5-13)4-8(9)12/h2-4,6H,1H3,(H3,14,15,16,17)
InChIKeyFTBBMXOWWWGZDB-UHFFFAOYSA-N
MW267.67 g/mol
LogP1.17
Rot. Bonds3

About N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide

N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide (PubChem CID 60667398) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide
PubChem CID60667398
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC NameN-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide
SMILESCC(Oc1ccc(C#N)cc1Cl)C(=O)NC(N)=O
InChIInChI=1S/C11H10ClN3O3/c1-6(10(16)15-11(14)17)18-9-3-2-7(5-13)4-8(9)12/h2-4,6H,1H3,(H3,14,15,16,17)
InChIKeyFTBBMXOWWWGZDB-UHFFFAOYSA-N
XLogP1.17
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide
CID 60667353
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide
CID 9384048
N-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide
CID 107663137
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
CID 8976802
(2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide
CID 2638136
2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide
CID 60720963
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 8976528
(2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide
CID 9384043
(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)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide?
The IUPAC name of N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide (CID 60667398) is N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide.
What is the SMILES notation for N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide?
The canonical SMILES for N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide is CC(Oc1ccc(C#N)cc1Cl)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide?
The InChIKey is FTBBMXOWWWGZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c1-6(10(16)15-11(14)17)18-9-3-2-7(5-13)4-8(9)12/h2-4,6H,1H3,(H3,14,15,16,17).
What are the key properties of N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide?
N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide has a molecular weight of 267.67 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide is sourced from PubChem (CID 60667398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).