N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-4-hydroxybenzamide

C16H13ClN2O2 — CID 81268855

IUPACN-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-4-hydroxybenzamide
SMILESNCC#Cc1ccc(Cl)cc1NC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H13ClN2O2/c17-13-6-3-11(2-1-9-18)15(10-13)19-16(21)12-4-7-14(20)8-5-12/h3-8,10,20H,9,18H2,(H,19,21)
InChIKeyHMLOTDHTDNWABG-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.61
Rot. Bonds2

About N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-4-hydroxybenzamide

N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-4-hydroxybenzamide (PubChem CID 81268855) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-4-hydroxybenzamide
PubChem CID81268855
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC NameN-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-4-hydroxybenzamide
SMILESNCC#Cc1ccc(Cl)cc1NC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H13ClN2O2/c17-13-6-3-11(2-1-9-18)15(10-13)19-16(21)12-4-7-14(20)8-5-12/h3-8,10,20H,9,18H2,(H,19,21)
InChIKeyHMLOTDHTDNWABG-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-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide
CID 81269110
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide
CID 81252736
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-5-chlorothiophene-2-carboxamide
CID 81279965
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide
CID 65436068
N-(2-amino-5-chlorophenyl)-4-hydroxybenzamide
CID 18070438
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-methylthiophene-2-carboxamide
CID 81279963
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-2,5-dimethylfuran-3-carboxamide
CID 81269162
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103404208
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-2-methylsulfanylacetamide
CID 81270273
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide
CID 60813882
4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 81260265
4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60802926

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-4-hydroxybenzamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-4-hydroxybenzamide (CID 81268855) is N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-4-hydroxybenzamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-4-hydroxybenzamide is NCC#Cc1ccc(Cl)cc1NC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-4-hydroxybenzamide?
The InChIKey is HMLOTDHTDNWABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-13-6-3-11(2-1-9-18)15(10-13)19-16(21)12-4-7-14(20)8-5-12/h3-8,10,20H,9,18H2,(H,19,21).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-4-hydroxybenzamide?
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-4-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)-5-chlorophenyl]-4-hydroxybenzamide is sourced from PubChem (CID 81268855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).