N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide

C16H13ClN2O2 — CID 106502755

IUPACN-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide
SMILESNCC#Cc1ccccc1NC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C16H13ClN2O2/c17-14-8-7-12(20)10-13(14)16(21)19-15-6-2-1-4-11(15)5-3-9-18/h1-2,4,6-8,10,20H,9,18H2,(H,19,21)
InChIKeyMKFZLXAWHVWGKC-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.61
Rot. Bonds2

About N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide

N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide (PubChem CID 106502755) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide
PubChem CID106502755
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC NameN-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide
SMILESNCC#Cc1ccccc1NC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C16H13ClN2O2/c17-14-8-7-12(20)10-13(14)16(21)19-15-6-2-1-4-11(15)5-3-9-18/h1-2,4,6-8,10,20H,9,18H2,(H,19,21)
InChIKeyMKFZLXAWHVWGKC-UHFFFAOYSA-N
XLogP2.61
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106688746
N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide
CID 106502622
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107016183
2-(3-aminoprop-1-ynyl)-N-(2,4-dichlorophenyl)benzamide
CID 60820786
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
CID 60802368
N-[2-(3-aminoprop-1-ynyl)phenyl]-3-chloro-5-methylbenzamide
CID 81315690
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60803050
2-(3-aminoprop-1-ynyl)-N-(5-chloro-2-fluorophenyl)benzamide
CID 60821946
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-4-hydroxybenzamide
CID 81268855
N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide
CID 54923009
N-[2-(3-aminoprop-1-ynyl)phenyl]thiadiazole-5-carboxamide
CID 65215727
N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 62201045

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide (CID 106502755) is N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide is NCC#Cc1ccccc1NC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide?
The InChIKey is MKFZLXAWHVWGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-14-8-7-12(20)10-13(14)16(21)19-15-6-2-1-4-11(15)5-3-9-18/h1-2,4,6-8,10,20H,9,18H2,(H,19,21).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide?
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide has a molecular weight of 300.75 g/mol, XLogP of 2.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide is sourced from PubChem (CID 106502755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).