N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride

C18H21ClN2O2 — CID 119441088

IUPACN-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
SMILESCNCc1cccc(NC(=O)C2COc3ccccc3C2)c1.Cl
InChIInChI=1S/C18H20N2O2.ClH/c1-19-11-13-5-4-7-16(9-13)20-18(21)15-10-14-6-2-3-8-17(14)22-12-15;/h2-9,15,19H,10-12H2,1H3,(H,20,21);1H
InChIKeyXWUOABDTIRHZIU-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.02
Rot. Bonds4

About N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride

N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride (PubChem CID 119441088) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
PubChem CID119441088
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
SMILESCNCc1cccc(NC(=O)C2COc3ccccc3C2)c1.Cl
InChIInChI=1S/C18H20N2O2.ClH/c1-19-11-13-5-4-7-16(9-13)20-18(21)15-10-14-6-2-3-8-17(14)22-12-15;/h2-9,15,19H,10-12H2,1H3,(H,20,21);1H
InChIKeyXWUOABDTIRHZIU-UHFFFAOYSA-N
XLogP3.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648344
(3S)-N-(3-iodophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9245036
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840529
N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041040
ethyl 3-(3,4-dihydro-2H-chromene-3-carbonylamino)benzoate
CID 134041128
(3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713196
N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64795048
N-[3-(1,3-dithian-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041326
N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057628
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
(3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95153639
N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride (CID 119441088) is N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride is CNCc1cccc(NC(=O)C2COc3ccccc3C2)c1.Cl.
What is the InChIKey of N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The InChIKey is XWUOABDTIRHZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.ClH/c1-19-11-13-5-4-7-16(9-13)20-18(21)15-10-14-6-2-3-8-17(14)22-12-15;/h2-9,15,19H,10-12H2,1H3,(H,20,21);1H.
What are the key properties of N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119441088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).