3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide

C10H12Cl2N2O2 — CID 43553259

IUPAC3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide
SMILESNC(=O)CCNCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H12Cl2N2O2/c11-7-3-6(10(16)8(12)4-7)5-14-2-1-9(13)15/h3-4,14,16H,1-2,5H2,(H2,13,15)
InChIKeyCEPCWTSQRBGEDV-UHFFFAOYSA-N
MW263.12 g/mol
LogP1.66
Rot. Bonds5

About 3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide

3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide (PubChem CID 43553259) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide
PubChem CID43553259
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide
SMILESNC(=O)CCNCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H12Cl2N2O2/c11-7-3-6(10(16)8(12)4-7)5-14-2-1-9(13)15/h3-4,14,16H,1-2,5H2,(H2,13,15)
InChIKeyCEPCWTSQRBGEDV-UHFFFAOYSA-N
XLogP1.66
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetamide
CID 16775959
acetic acid;2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 70616535
N-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide
CID 28684903
2,5-dichloro-3-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 134097048
3-[(3,5-dibromo-2-hydroxyphenyl)methylamino]propanamide
CID 104586806
methyl 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanoate
CID 60780743
2,4-dichloro-6-[(2-chloroprop-2-enylamino)methyl]phenol
CID 115702594
2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol
CID 29286269
2-(3,5-dichloro-2-hydroxyphenyl)acetic acid
CID 70463293
3-[(2,4-dihydroxyphenyl)methylamino]propanamide
CID 43553298
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]propanoic acid
CID 104663774
tert-butyl 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetate
CID 81462864

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide?
The IUPAC name of 3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide (CID 43553259) is 3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide.
What is the SMILES notation for 3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide?
The canonical SMILES for 3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide is NC(=O)CCNCc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide?
The InChIKey is CEPCWTSQRBGEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c11-7-3-6(10(16)8(12)4-7)5-14-2-1-9(13)15/h3-4,14,16H,1-2,5H2,(H2,13,15).
What are the key properties of 3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide?
3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide has a molecular weight of 263.12 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide is sourced from PubChem (CID 43553259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).