N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide

C15H15ClN2O2 — CID 43297503

IUPACN-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide
SMILESCC(NC(=O)c1ccc(O)c(Cl)c1)c1ccc(N)cc1
InChIInChI=1S/C15H15ClN2O2/c1-9(10-2-5-12(17)6-3-10)18-15(20)11-4-7-14(19)13(16)8-11/h2-9,19H,17H2,1H3,(H,18,20)
InChIKeyHSKWWUIXXHYYBC-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.12
Rot. Bonds3

About N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide

N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide (PubChem CID 43297503) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide
PubChem CID43297503
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide
SMILESCC(NC(=O)c1ccc(O)c(Cl)c1)c1ccc(N)cc1
InChIInChI=1S/C15H15ClN2O2/c1-9(10-2-5-12(17)6-3-10)18-15(20)11-4-7-14(19)13(16)8-11/h2-9,19H,17H2,1H3,(H,18,20)
InChIKeyHSKWWUIXXHYYBC-UHFFFAOYSA-N
XLogP3.12
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 47097730
N-[1-(4-aminophenyl)ethyl]-3-bromo-4-chlorobenzamide
CID 107990822
3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide
CID 51933816
3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 48692579
3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 31206996
methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate
CID 60654193
3-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355966
4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81368815
4-amino-3-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 66196616
N-[(1S)-1-(4-aminophenyl)ethyl]benzamide
CID 35525579
3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111876
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 81359194

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide (CID 43297503) is N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide is CC(NC(=O)c1ccc(O)c(Cl)c1)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide?
The InChIKey is HSKWWUIXXHYYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9(10-2-5-12(17)6-3-10)18-15(20)11-4-7-14(19)13(16)8-11/h2-9,19H,17H2,1H3,(H,18,20).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide?
N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide has a molecular weight of 290.75 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide is sourced from PubChem (CID 43297503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).