N-[(2-bromophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide

C18H18BrNO2 — CID 46420250

IUPACN-[(2-bromophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)C1COc2ccccc2C1
InChIInChI=1S/C18H18BrNO2/c1-20(11-14-7-2-4-8-16(14)19)18(21)15-10-13-6-3-5-9-17(13)22-12-15/h2-9,15H,10-12H2,1H3
InChIKeyPTWOHZDHZRTESJ-UHFFFAOYSA-N
MW360.25 g/mol
LogP3.66
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide

N-[(2-bromophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 46420250) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID46420250
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)C1COc2ccccc2C1
InChIInChI=1S/C18H18BrNO2/c1-20(11-14-7-2-4-8-16(14)19)18(21)15-10-13-6-3-5-9-17(13)22-12-15/h2-9,15H,10-12H2,1H3
InChIKeyPTWOHZDHZRTESJ-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 134040901
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24515244
N-methyl-N-(1,2-oxazol-5-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 155965634
(3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95964792
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46436469
N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide
CID 60630961
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64512377
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 72876370
(3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 97126150
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 81487197
(3S)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97137497
N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72899466

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 46420250) is N-[(2-bromophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide is CN(Cc1ccccc1Br)C(=O)C1COc2ccccc2C1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is PTWOHZDHZRTESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-20(11-14-7-2-4-8-16(14)19)18(21)15-10-13-6-3-5-9-17(13)22-12-15/h2-9,15H,10-12H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
N-[(2-bromophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 360.25 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 46420250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).