N-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide

C15H20ClNO2 — CID 63709229

IUPACN-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCCCN(CCCl)C(=O)C1CCOc2ccccc21
InChIInChI=1S/C15H20ClNO2/c1-2-9-17(10-8-16)15(18)13-7-11-19-14-6-4-3-5-12(13)14/h3-6,13H,2,7-11H2,1H3
InChIKeyBSZDHVAHFCLGFS-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.03
Rot. Bonds5

About N-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide

N-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 63709229) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID63709229
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCCCN(CCCl)C(=O)C1CCOc2ccccc21
InChIInChI=1S/C15H20ClNO2/c1-2-9-17(10-8-16)15(18)13-7-11-19-14-6-4-3-5-12(13)14/h3-6,13H,2,7-11H2,1H3
InChIKeyBSZDHVAHFCLGFS-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide 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

methyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate
CID 63237160
N-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 63184213
N-ethyl-N-(3-hydroxypropyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 115772095
2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid
CID 63709185
N-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride
CID 119825491
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 79663387
2-[3,4-dihydro-2H-chromene-4-carbonyl(2-methylpropyl)amino]acetic acid
CID 63708820
N-(3-aminopropyl)-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708282
N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 107493571
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one
CID 55227243
3-[3,4-dihydro-2H-chromene-4-carbonyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209810
1-(3,4-dihydro-2H-chromen-4-yl)-3-methylhexan-1-one
CID 65409121

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide (CID 63709229) is N-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide is CCCN(CCCl)C(=O)C1CCOc2ccccc21.
What is the InChIKey of N-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is BSZDHVAHFCLGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-9-17(10-8-16)15(18)13-7-11-19-14-6-4-3-5-12(13)14/h3-6,13H,2,7-11H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide?
N-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 281.78 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 63709229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).