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

C16H15ClN2O2 — CID 62057632

IUPACN-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNc1cc(NC(=O)C2COc3ccccc3C2)ccc1Cl
InChIInChI=1S/C16H15ClN2O2/c17-13-6-5-12(8-14(13)18)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)
InChIKeyUZXXWNNFLASXQM-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.11
Rot. Bonds2

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

N-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 62057632) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID62057632
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNc1cc(NC(=O)C2COc3ccccc3C2)ccc1Cl
InChIInChI=1S/C16H15ClN2O2/c17-13-6-5-12(8-14(13)18)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)
InChIKeyUZXXWNNFLASXQM-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-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057628
N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63563206
N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648344
(3S)-N-(3-iodophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9245036
N-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 107334050
(3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 176592594
(3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95153639
N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64795048
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 46628982
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840529
N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578098

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 62057632) is N-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide is Nc1cc(NC(=O)C2COc3ccccc3C2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is UZXXWNNFLASXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-13-6-5-12(8-14(13)18)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-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(3-amino-4-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-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 62057632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).