N-cyclopropyl-3-(2,4-dichloro-6-formylphenoxy)propanamide

C13H13Cl2NO3 — CID 62627392

IUPACN-cyclopropyl-3-(2,4-dichloro-6-formylphenoxy)propanamide
SMILESO=Cc1cc(Cl)cc(Cl)c1OCCC(=O)NC1CC1
InChIInChI=1S/C13H13Cl2NO3/c14-9-5-8(7-17)13(11(15)6-9)19-4-3-12(18)16-10-1-2-10/h5-7,10H,1-4H2,(H,16,18)
InChIKeyHPVWTCSKZSEJTD-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.85
Rot. Bonds6

About N-cyclopropyl-3-(2,4-dichloro-6-formylphenoxy)propanamide

N-cyclopropyl-3-(2,4-dichloro-6-formylphenoxy)propanamide (PubChem CID 62627392) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is N-cyclopropyl-3-(2,4-dichloro-6-formylphenoxy)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2,4-dichloro-6-formylphenoxy)propanamide
PubChem CID62627392
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC NameN-cyclopropyl-3-(2,4-dichloro-6-formylphenoxy)propanamide
SMILESO=Cc1cc(Cl)cc(Cl)c1OCCC(=O)NC1CC1
InChIInChI=1S/C13H13Cl2NO3/c14-9-5-8(7-17)13(11(15)6-9)19-4-3-12(18)16-10-1-2-10/h5-7,10H,1-4H2,(H,16,18)
InChIKeyHPVWTCSKZSEJTD-UHFFFAOYSA-N
XLogP2.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide
CID 55098579
N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide
CID 62627393
N-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide
CID 55098349
methyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate
CID 63947658
3,5-dichloro-2-(3-methylbutoxy)benzaldehyde
CID 43515922
3-(4-chlorophenoxy)-N-cyclopentylpropanamide
CID 108790008
N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 79887944
3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide
CID 62627959
4-chloro-2-[3-(cyclopropylamino)-3-oxopropoxy]benzoic acid
CID 55098633
(2,4-dichloro-6-formylphenyl) cyclopentanecarboxylate
CID 91694976
3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide
CID 79886312
3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide
CID 62628472

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2,4-dichloro-6-formylphenoxy)propanamide?
The IUPAC name of N-cyclopropyl-3-(2,4-dichloro-6-formylphenoxy)propanamide (CID 62627392) is N-cyclopropyl-3-(2,4-dichloro-6-formylphenoxy)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2,4-dichloro-6-formylphenoxy)propanamide?
The canonical SMILES for N-cyclopropyl-3-(2,4-dichloro-6-formylphenoxy)propanamide is O=Cc1cc(Cl)cc(Cl)c1OCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(2,4-dichloro-6-formylphenoxy)propanamide?
The InChIKey is HPVWTCSKZSEJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c14-9-5-8(7-17)13(11(15)6-9)19-4-3-12(18)16-10-1-2-10/h5-7,10H,1-4H2,(H,16,18).
What are the key properties of N-cyclopropyl-3-(2,4-dichloro-6-formylphenoxy)propanamide?
N-cyclopropyl-3-(2,4-dichloro-6-formylphenoxy)propanamide has a molecular weight of 302.16 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2,4-dichloro-6-formylphenoxy)propanamide is sourced from PubChem (CID 62627392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).