N-(3-chlorophenyl)-7-methyl-3,4-dihydro-2H-chromene-2-carboxamide

C17H16ClNO2 — CID 44516249

IUPACN-(3-chlorophenyl)-7-methyl-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1ccc2c(c1)OC(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C17H16ClNO2/c1-11-5-6-12-7-8-15(21-16(12)9-11)17(20)19-14-4-2-3-13(18)10-14/h2-6,9-10,15H,7-8H2,1H3,(H,19,20)
InChIKeyFSANCANNORLOSH-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.98
Rot. Bonds2

About N-(3-chlorophenyl)-7-methyl-3,4-dihydro-2H-chromene-2-carboxamide

N-(3-chlorophenyl)-7-methyl-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 44516249) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-7-methyl-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-7-methyl-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID44516249
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC NameN-(3-chlorophenyl)-7-methyl-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1ccc2c(c1)OC(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C17H16ClNO2/c1-11-5-6-12-7-8-15(21-16(12)9-11)17(20)19-14-4-2-3-13(18)10-14/h2-6,9-10,15H,7-8H2,1H3,(H,19,20)
InChIKeyFSANCANNORLOSH-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089364
7-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 44515945
N-(4-carbamoylphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 139007058
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
N-(3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 44515635
(2R)-6-chloro-N-(3-methylphenyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 93490328
(2S)-7-methyl-N-(3-methylphenyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 95081286
(1S)-N-(3-chlorophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 7033241
(2S)-6-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 94865790
N-(3-acetamidophenyl)-7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 43925824
(2S,3R)-N-(3-chlorophenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7393448
6-methyl-N-(3-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4906193

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-7-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-7-methyl-3,4-dihydro-2H-chromene-2-carboxamide (CID 44516249) is N-(3-chlorophenyl)-7-methyl-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-7-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-7-methyl-3,4-dihydro-2H-chromene-2-carboxamide is Cc1ccc2c(c1)OC(C(=O)Nc1cccc(Cl)c1)CC2.
What is the InChIKey of N-(3-chlorophenyl)-7-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is FSANCANNORLOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-11-5-6-12-7-8-15(21-16(12)9-11)17(20)19-14-4-2-3-13(18)10-14/h2-6,9-10,15H,7-8H2,1H3,(H,19,20).
What are the key properties of N-(3-chlorophenyl)-7-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
N-(3-chlorophenyl)-7-methyl-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 301.77 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-7-methyl-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 44516249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).