N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide

C16H15ClN2O2 — CID 63563206

IUPACN-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNc1ccc(Cl)cc1NC(=O)C1COc2ccccc2C1
InChIInChI=1S/C16H15ClN2O2/c17-12-5-6-13(18)14(8-12)19-16(20)11-7-10-3-1-2-4-15(10)21-9-11/h1-6,8,11H,7,9,18H2,(H,19,20)
InChIKeyTXFILWKNHITQMI-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.11
Rot. Bonds2

About N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 63563206) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID63563206
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNc1ccc(Cl)cc1NC(=O)C1COc2ccccc2C1
InChIInChI=1S/C16H15ClN2O2/c17-12-5-6-13(18)14(8-12)19-16(20)11-7-10-3-1-2-4-15(10)21-9-11/h1-6,8,11H,7,9,18H2,(H,19,20)
InChIKeyTXFILWKNHITQMI-UHFFFAOYSA-N
XLogP3.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81028513
N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578098
N-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057632
N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648974
(3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840512
(3R)-6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9074373
N-(4-chloro-2-pyridinyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 115627234
N-(2-amino-6-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81304827
N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057628
N-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394332
(3S)-N-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9244994
6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55595952

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 63563206) is N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide is Nc1ccc(Cl)cc1NC(=O)C1COc2ccccc2C1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is TXFILWKNHITQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-12-5-6-13(18)14(8-12)19-16(20)11-7-10-3-1-2-4-15(10)21-9-11/h1-6,8,11H,7,9,18H2,(H,19,20).
What are the key properties of N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 63563206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).