N-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide

C18H18ClNO2 — CID 126788961

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C1OCCc2ccccc21
InChIInChI=1S/C18H18ClNO2/c1-20(12-13-6-8-15(19)9-7-13)18(21)17-16-5-3-2-4-14(16)10-11-22-17/h2-9,17H,10-12H2,1H3
InChIKeyXTSBYLSDURERLL-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.61
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide

N-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 126788961) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID126788961
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C1OCCc2ccccc21
InChIInChI=1S/C18H18ClNO2/c1-20(12-13-6-8-15(19)9-7-13)18(21)17-16-5-3-2-4-14(16)10-11-22-17/h2-9,17H,10-12H2,1H3
InChIKeyXTSBYLSDURERLL-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-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

4-[[[(1S)-3,4-dihydro-1H-isochromene-1-carbonyl]-methylamino]methyl]benzoic acid
CID 124684427
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride
CID 119995087
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-ethylphenyl)ethanone
CID 105081743
N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76895013
N-(2-amino-1-cyclopropylethyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 116651619
N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 120884804
N-methyl-N-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 166252419
(1S)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 97329073
2-(4-chloro-2-fluorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 105135677
2-[butan-2-yl(3,4-dihydro-1H-isochromene-1-carbonyl)amino]acetic acid
CID 60984955
N-(4-fluorooxolan-3-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 126857871
1-(3,4-dihydro-1H-isochromen-1-yl)-2,2-dimethylpropan-1-one
CID 105098669

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide (CID 126788961) is N-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide is CN(Cc1ccc(Cl)cc1)C(=O)C1OCCc2ccccc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is XTSBYLSDURERLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-20(12-13-6-8-15(19)9-7-13)18(21)17-16-5-3-2-4-14(16)10-11-22-17/h2-9,17H,10-12H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide?
N-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 126788961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).