4-amino-2-chloro-N-hex-5-ynylbenzamide

C13H15ClN2O — CID 106208110

IUPAC4-amino-2-chloro-N-hex-5-ynylbenzamide
SMILESC#CCCCCNC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H15ClN2O/c1-2-3-4-5-8-16-13(17)11-7-6-10(15)9-12(11)14/h1,6-7,9H,3-5,8,15H2,(H,16,17)
InChIKeyWVEWCKMQXMDPRI-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.46
Rot. Bonds5

About 4-amino-2-chloro-N-hex-5-ynylbenzamide

4-amino-2-chloro-N-hex-5-ynylbenzamide (PubChem CID 106208110) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 4-amino-2-chloro-N-hex-5-ynylbenzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-hex-5-ynylbenzamide
PubChem CID106208110
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name4-amino-2-chloro-N-hex-5-ynylbenzamide
SMILESC#CCCCCNC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H15ClN2O/c1-2-3-4-5-8-16-13(17)11-7-6-10(15)9-12(11)14/h1,6-7,9H,3-5,8,15H2,(H,16,17)
InChIKeyWVEWCKMQXMDPRI-UHFFFAOYSA-N
XLogP2.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-2-chloro-N-hex-5-ynylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-bromo-N-hex-5-ynylbenzamide
CID 114158305
2,4-dichloro-N-pent-4-ynylbenzamide
CID 103709106
4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
CID 43167675
4-amino-N-hex-5-ynyl-2-methoxybenzamide
CID 106208174
2-chloro-N-hex-5-ynyl-5-hydroxybenzamide
CID 106209889
3-amino-4,5-dichloro-N-hex-5-ynylbenzamide
CID 106208113
2-(4-aminophenyl)-N-hex-5-ynylacetamide
CID 106208123
3-amino-N-hex-5-ynyl-2-hydroxybenzamide
CID 114158327
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 16775677
4-amino-2-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61237813
2-chloro-3-fluoro-N-hex-5-ynylbenzamide
CID 103757958

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-hex-5-ynylbenzamide?
The IUPAC name of 4-amino-2-chloro-N-hex-5-ynylbenzamide (CID 106208110) is 4-amino-2-chloro-N-hex-5-ynylbenzamide.
What is the SMILES notation for 4-amino-2-chloro-N-hex-5-ynylbenzamide?
The canonical SMILES for 4-amino-2-chloro-N-hex-5-ynylbenzamide is C#CCCCCNC(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-hex-5-ynylbenzamide?
The InChIKey is WVEWCKMQXMDPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-2-3-4-5-8-16-13(17)11-7-6-10(15)9-12(11)14/h1,6-7,9H,3-5,8,15H2,(H,16,17).
What are the key properties of 4-amino-2-chloro-N-hex-5-ynylbenzamide?
4-amino-2-chloro-N-hex-5-ynylbenzamide has a molecular weight of 250.73 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-hex-5-ynylbenzamide is sourced from PubChem (CID 106208110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).