N-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide

C16H13FINO2 — CID 79760288

IUPACN-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1I)C1CCOc2ccccc21
InChIInChI=1S/C16H13FINO2/c17-10-5-6-14(13(18)9-10)19-16(20)12-7-8-21-15-4-2-1-3-11(12)15/h1-6,9,12H,7-8H2,(H,19,20)
InChIKeyAKKCQBBPYQFWAD-UHFFFAOYSA-N
MW397.19 g/mol
LogP3.94
Rot. Bonds2

About N-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide

N-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 79760288) has the molecular formula C16H13FINO2 and a molecular weight of 397.19 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID79760288
Molecular FormulaC16H13FINO2
Molecular Weight397.19 g/mol
Exact Mass397.00
IUPAC NameN-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1I)C1CCOc2ccccc21
InChIInChI=1S/C16H13FINO2/c17-10-5-6-14(13(18)9-10)19-16(20)12-7-8-21-15-4-2-1-3-11(12)15/h1-6,9,12H,7-8H2,(H,19,20)
InChIKeyAKKCQBBPYQFWAD-UHFFFAOYSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.19
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 103909491
(4S)-N-(5-cyano-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 97246485
N-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide
CID 155944873
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 125132862
N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 106912130
2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 65408732
N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79754301
[(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 97053753
N-[3-(aminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710267
(2S)-3-(3,4-dihydro-2H-chromene-4-carbonylamino)-2-hydroxypropanoic acid
CID 107833282
N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623
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-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 79760288) is N-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide is O=C(Nc1ccc(F)cc1I)C1CCOc2ccccc21.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is AKKCQBBPYQFWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FINO2/c17-10-5-6-14(13(18)9-10)19-16(20)12-7-8-21-15-4-2-1-3-11(12)15/h1-6,9,12H,7-8H2,(H,19,20).
What are the key properties of N-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide?
N-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 397.19 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 79760288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).