N-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide

C16H15ClN2O2 — CID 63710976

IUPACN-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESNc1cccc(Cl)c1NC(=O)C1CCOc2ccccc21
InChIInChI=1S/C16H15ClN2O2/c17-12-5-3-6-13(18)15(12)19-16(20)11-8-9-21-14-7-2-1-4-10(11)14/h1-7,11H,8-9,18H2,(H,19,20)
InChIKeyVTRZQTBENLNXLV-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.43
Rot. Bonds2

About N-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide

N-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 63710976) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID63710976
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESNc1cccc(Cl)c1NC(=O)C1CCOc2ccccc21
InChIInChI=1S/C16H15ClN2O2/c17-12-5-3-6-13(18)15(12)19-16(20)11-8-9-21-14-7-2-1-4-10(11)14/h1-7,11H,8-9,18H2,(H,19,20)
InChIKeyVTRZQTBENLNXLV-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
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-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648124
N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79754301
N-[3-(aminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710267
N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623
N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 106912130
N-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 106297206
N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-chromene-4-carboxamide
CID 81340415
N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710270
(3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95782971
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708496
N-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide
CID 155944873
N-(2-cyanoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708655

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 63710976) is N-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide is Nc1cccc(Cl)c1NC(=O)C1CCOc2ccccc21.
What is the InChIKey of N-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is VTRZQTBENLNXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-12-5-3-6-13(18)15(12)19-16(20)11-8-9-21-14-7-2-1-4-10(11)14/h1-7,11H,8-9,18H2,(H,19,20).
What are the key properties of N-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide?
N-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 63710976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).