N-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide

C12H13ClN2O5 — CID 43117158

IUPACN-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide
SMILESCOc1cc(C=O)cc(Cl)c1OC(C)C(=O)NC(N)=O
InChIInChI=1S/C12H13ClN2O5/c1-6(11(17)15-12(14)18)20-10-8(13)3-7(5-16)4-9(10)19-2/h3-6H,1-2H3,(H3,14,15,17,18)
InChIKeyRPJVKPGSPQIAOM-UHFFFAOYSA-N
MW300.70 g/mol
LogP1.12
Rot. Bonds5

About N-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide

N-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide (PubChem CID 43117158) has the molecular formula C12H13ClN2O5 and a molecular weight of 300.70 g/mol. Its IUPAC name is N-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide
PubChem CID43117158
Molecular FormulaC12H13ClN2O5
Molecular Weight300.70 g/mol
Exact Mass300.05
IUPAC NameN-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide
SMILESCOc1cc(C=O)cc(Cl)c1OC(C)C(=O)NC(N)=O
InChIInChI=1S/C12H13ClN2O5/c1-6(11(17)15-12(14)18)20-10-8(13)3-7(5-16)4-9(10)19-2/h3-6H,1-2H3,(H3,14,15,17,18)
InChIKeyRPJVKPGSPQIAOM-UHFFFAOYSA-N
XLogP1.12
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate
CID 42573597
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-carbamoylpropanamide
CID 43627072
ethyl 2-(2-chloro-4-formyl-6-methoxyphenoxy)butanoate
CID 64662755
N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide
CID 43515774
2-acetamido-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 4768500
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
CID 957945
3-chloro-4-(2-hydroxypropoxy)-5-methoxybenzaldehyde
CID 60887072
(2S)-N-carbamoyl-2-(3,5-dichlorophenoxy)propanamide
CID 7848484
3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 62625897
methyl 2-(2-chloro-4-formyl-6-nitrophenoxy)propanoate
CID 86664208
3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde
CID 15410462
2-(2-bromo-4-formyl-6-methoxyphenoxy)propanoic acid
CID 4763755

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide?
The IUPAC name of N-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide (CID 43117158) is N-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide.
What is the SMILES notation for N-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide?
The canonical SMILES for N-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide is COc1cc(C=O)cc(Cl)c1OC(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide?
The InChIKey is RPJVKPGSPQIAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O5/c1-6(11(17)15-12(14)18)20-10-8(13)3-7(5-16)4-9(10)19-2/h3-6H,1-2H3,(H3,14,15,17,18).
What are the key properties of N-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide?
N-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide has a molecular weight of 300.70 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide is sourced from PubChem (CID 43117158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).