3-(3-amino-4-hydroxyphenyl)-N-(2,4-dichlorophenyl)propanamide

C15H14Cl2N2O2 — CID 19038227

IUPAC3-(3-amino-4-hydroxyphenyl)-N-(2,4-dichlorophenyl)propanamide
SMILESNc1cc(CCC(=O)Nc2ccc(Cl)cc2Cl)ccc1O
InChIInChI=1S/C15H14Cl2N2O2/c16-10-3-4-13(11(17)8-10)19-15(21)6-2-9-1-5-14(20)12(18)7-9/h1,3-5,7-8,20H,2,6,18H2,(H,19,21)
InChIKeyGQHIWCBCZNXWDZ-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.85
Rot. Bonds4

About 3-(3-amino-4-hydroxyphenyl)-N-(2,4-dichlorophenyl)propanamide

3-(3-amino-4-hydroxyphenyl)-N-(2,4-dichlorophenyl)propanamide (PubChem CID 19038227) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 3-(3-amino-4-hydroxyphenyl)-N-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-hydroxyphenyl)-N-(2,4-dichlorophenyl)propanamide
PubChem CID19038227
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name3-(3-amino-4-hydroxyphenyl)-N-(2,4-dichlorophenyl)propanamide
SMILESNc1cc(CCC(=O)Nc2ccc(Cl)cc2Cl)ccc1O
InChIInChI=1S/C15H14Cl2N2O2/c16-10-3-4-13(11(17)8-10)19-15(21)6-2-9-1-5-14(20)12(18)7-9/h1,3-5,7-8,20H,2,6,18H2,(H,19,21)
InChIKeyGQHIWCBCZNXWDZ-UHFFFAOYSA-N
XLogP3.85
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-aminoacetyl)oxy-4-[3-(2,4-dichloroanilino)-3-oxopropyl]phenyl] 2-aminoacetate
CID 54264965
N-(2,4-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 5055071
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenylpropanamide
CID 113001262
N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35591649
N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62367069
3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)propanamide
CID 51057579
5-chloro-N-(2,4-dichlorophenyl)pentanamide
CID 28727917
N-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide
CID 56581213
3-(3-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 47135378
3-(4-aminophenyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 28713135
N-(2-amino-5-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62366718
N-(2,4-dichlorophenyl)pent-4-enamide
CID 121218276

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-hydroxyphenyl)-N-(2,4-dichlorophenyl)propanamide?
The IUPAC name of 3-(3-amino-4-hydroxyphenyl)-N-(2,4-dichlorophenyl)propanamide (CID 19038227) is 3-(3-amino-4-hydroxyphenyl)-N-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(3-amino-4-hydroxyphenyl)-N-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-(3-amino-4-hydroxyphenyl)-N-(2,4-dichlorophenyl)propanamide is Nc1cc(CCC(=O)Nc2ccc(Cl)cc2Cl)ccc1O.
What is the InChIKey of 3-(3-amino-4-hydroxyphenyl)-N-(2,4-dichlorophenyl)propanamide?
The InChIKey is GQHIWCBCZNXWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-10-3-4-13(11(17)8-10)19-15(21)6-2-9-1-5-14(20)12(18)7-9/h1,3-5,7-8,20H,2,6,18H2,(H,19,21).
What are the key properties of 3-(3-amino-4-hydroxyphenyl)-N-(2,4-dichlorophenyl)propanamide?
3-(3-amino-4-hydroxyphenyl)-N-(2,4-dichlorophenyl)propanamide has a molecular weight of 325.20 g/mol, XLogP of 3.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-hydroxyphenyl)-N-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 19038227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).