N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide

C13H17Cl2N3O3 — CID 43515774

IUPACN-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide
SMILESCCNCc1cc(Cl)cc(Cl)c1OC(C)C(=O)NC(N)=O
InChIInChI=1S/C13H17Cl2N3O3/c1-3-17-6-8-4-9(14)5-10(15)11(8)21-7(2)12(19)18-13(16)20/h4-5,7,17H,3,6H2,1-2H3,(H3,16,18,19,20)
InChIKeyIPMSWKKEICTPAN-UHFFFAOYSA-N
MW334.20 g/mol
LogP2.07
Rot. Bonds6

About N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide

N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide (PubChem CID 43515774) has the molecular formula C13H17Cl2N3O3 and a molecular weight of 334.20 g/mol. Its IUPAC name is N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide
PubChem CID43515774
Molecular FormulaC13H17Cl2N3O3
Molecular Weight334.20 g/mol
Exact Mass333.06
IUPAC NameN-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide
SMILESCCNCc1cc(Cl)cc(Cl)c1OC(C)C(=O)NC(N)=O
InChIInChI=1S/C13H17Cl2N3O3/c1-3-17-6-8-4-9(14)5-10(15)11(8)21-7(2)12(19)18-13(16)20/h4-5,7,17H,3,6H2,1-2H3,(H3,16,18,19,20)
InChIKeyIPMSWKKEICTPAN-UHFFFAOYSA-N
XLogP2.07
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515771
N-cyclopropyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide
CID 43515770
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515707
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide
CID 43515713
N-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
CID 79882227
2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]pentanoic acid
CID 83037579
(2S)-N-carbamoyl-2-(3,5-dichlorophenoxy)propanamide
CID 7848484
2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide
CID 54928907
N-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide
CID 43117158
methyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]propanoate
CID 63058119
2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide
CID 62900773
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide
CID 43516286

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide?
The IUPAC name of N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide (CID 43515774) is N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide.
What is the SMILES notation for N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide?
The canonical SMILES for N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide is CCNCc1cc(Cl)cc(Cl)c1OC(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide?
The InChIKey is IPMSWKKEICTPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O3/c1-3-17-6-8-4-9(14)5-10(15)11(8)21-7(2)12(19)18-13(16)20/h4-5,7,17H,3,6H2,1-2H3,(H3,16,18,19,20).
What are the key properties of N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide?
N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide has a molecular weight of 334.20 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide is sourced from PubChem (CID 43515774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).