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

C17H16ClNO2 — CID 110648124

IUPACN-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCOc2ccccc21
InChIInChI=1S/C17H16ClNO2/c18-15-7-3-1-5-12(15)11-19-17(20)14-9-10-21-16-8-4-2-6-13(14)16/h1-8,14H,9-11H2,(H,19,20)
InChIKeyARFTXAUOXHQIAI-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.52
Rot. Bonds3

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

N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 110648124) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID110648124
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC NameN-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCOc2ccccc21
InChIInChI=1S/C17H16ClNO2/c18-15-7-3-1-5-12(15)11-19-17(20)14-9-10-21-16-8-4-2-6-13(14)16/h1-8,14H,9-11H2,(H,19,20)
InChIKeyARFTXAUOXHQIAI-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710270
N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708848
1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylguanidine
CID 111835461
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362
(2S)-3-(3,4-dihydro-2H-chromene-4-carbonylamino)-2-hydroxypropanoic acid
CID 107833282
N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648358
N-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2867490
N-(2-cyanoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708655
N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709735
N-(3,3-dimethyl-2-oxobutyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 64992086

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide (CID 110648124) is N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide is O=C(NCc1ccccc1Cl)C1CCOc2ccccc21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is ARFTXAUOXHQIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-15-7-3-1-5-12(15)11-19-17(20)14-9-10-21-16-8-4-2-6-13(14)16/h1-8,14H,9-11H2,(H,19,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide?
N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 301.77 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 110648124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).