2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide

C14H20Cl2N2O2 — CID 62900773

IUPAC2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide
SMILESCCC(Oc1c(Cl)cc(Cl)cc1CNC(C)C)C(N)=O
InChIInChI=1S/C14H20Cl2N2O2/c1-4-12(14(17)19)20-13-9(7-18-8(2)3)5-10(15)6-11(13)16/h5-6,8,12,18H,4,7H2,1-3H3,(H2,17,19)
InChIKeyCBTRJQWHXSPNDC-UHFFFAOYSA-N
MW319.23 g/mol
LogP3.13
Rot. Bonds7

About 2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide

2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide (PubChem CID 62900773) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide.

Molecular Properties

Compound Name2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide
PubChem CID62900773
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide
SMILESCCC(Oc1c(Cl)cc(Cl)cc1CNC(C)C)C(N)=O
InChIInChI=1S/C14H20Cl2N2O2/c1-4-12(14(17)19)20-13-9(7-18-8(2)3)5-10(15)6-11(13)16/h5-6,8,12,18H,4,7H2,1-3H3,(H2,17,19)
InChIKeyCBTRJQWHXSPNDC-UHFFFAOYSA-N
XLogP3.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide
CID 63057973
N-[(3,5-dichloro-2-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43515840
N-[(3,5-dichloro-2-pentan-2-yloxyphenyl)methyl]propan-2-amine
CID 107890855
2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide
CID 114319688
1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 60889829
2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide
CID 62899630
N-[[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60887324
N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide
CID 43515774
3-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63902462
2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]pentanoic acid
CID 83037579
2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 104664877
N-cyclopropyl-2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43515834

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide?
The IUPAC name of 2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide (CID 62900773) is 2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide.
What is the SMILES notation for 2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide?
The canonical SMILES for 2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide is CCC(Oc1c(Cl)cc(Cl)cc1CNC(C)C)C(N)=O.
What is the InChIKey of 2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide?
The InChIKey is CBTRJQWHXSPNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-4-12(14(17)19)20-13-9(7-18-8(2)3)5-10(15)6-11(13)16/h5-6,8,12,18H,4,7H2,1-3H3,(H2,17,19).
What are the key properties of 2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide?
2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide has a molecular weight of 319.23 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide is sourced from PubChem (CID 62900773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).