N-(3,4-difluorophenyl)-4-hydroxy-3,4-dihydro-2H-chromene-8-carboxamide

C16H13F2NO3 — CID 134348335

IUPACN-(3,4-difluorophenyl)-4-hydroxy-3,4-dihydro-2H-chromene-8-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cccc2c1OCCC2O
InChIInChI=1S/C16H13F2NO3/c17-12-5-4-9(8-13(12)18)19-16(21)11-3-1-2-10-14(20)6-7-22-15(10)11/h1-5,8,14,20H,6-7H2,(H,19,21)
InChIKeyYMZUYAWWSBWBHH-UHFFFAOYSA-N
MW305.28 g/mol
LogP3.03
Rot. Bonds2

About N-(3,4-difluorophenyl)-4-hydroxy-3,4-dihydro-2H-chromene-8-carboxamide

N-(3,4-difluorophenyl)-4-hydroxy-3,4-dihydro-2H-chromene-8-carboxamide (PubChem CID 134348335) has the molecular formula C16H13F2NO3 and a molecular weight of 305.28 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-hydroxy-3,4-dihydro-2H-chromene-8-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-hydroxy-3,4-dihydro-2H-chromene-8-carboxamide
PubChem CID134348335
Molecular FormulaC16H13F2NO3
Molecular Weight305.28 g/mol
Exact Mass305.09
IUPAC NameN-(3,4-difluorophenyl)-4-hydroxy-3,4-dihydro-2H-chromene-8-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cccc2c1OCCC2O
InChIInChI=1S/C16H13F2NO3/c17-12-5-4-9(8-13(12)18)19-16(21)11-3-1-2-10-14(20)6-7-22-15(10)11/h1-5,8,14,20H,6-7H2,(H,19,21)
InChIKeyYMZUYAWWSBWBHH-UHFFFAOYSA-N
XLogP3.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-4-pyridin-3-yl-3,4-dihydro-2H-chromene-8-carboxamide
CID 134348376
N-(3,4-difluorophenyl)-4-(1-pyridin-4-ylethoxy)-3,4-dihydro-2H-chromene-8-carboxamide
CID 134348428
(4S)-4-amino-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride
CID 134348459
3-methoxypropyl N-[(4S)-8-[(3,4-difluorophenyl)carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 139340331
N-(3,4-difluorophenyl)-4-[(2-methylpyrazol-3-yl)methylamino]-3,4-dihydro-2H-chromene-8-carboxamide
CID 134348432
1-pyridin-2-ylethyl N-[(4S)-8-[(3,4-difluorophenyl)carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 139328578
[8-[(3,4,5-trifluorophenyl)carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamic acid
CID 134348700
[8-[(3,4-difluorophenyl)carbamoyl]-5-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamic acid
CID 134348569
(4S)-4-[[(S)-tert-butylsulfinyl]amino]-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide
CID 134348603
(3-chloro-2-pyridinyl)methyl N-[(4S)-8-[(3,4-difluorophenyl)carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamate;hydrochloride
CID 142306109
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
(4S)-4-amino-N-(3,4-difluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;4-chloropyrimidine;(4S)-N-(3,4-difluorophenyl)-4-(pyrimidin-4-ylamino)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride
CID 158806797

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-hydroxy-3,4-dihydro-2H-chromene-8-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-hydroxy-3,4-dihydro-2H-chromene-8-carboxamide (CID 134348335) is N-(3,4-difluorophenyl)-4-hydroxy-3,4-dihydro-2H-chromene-8-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-hydroxy-3,4-dihydro-2H-chromene-8-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-hydroxy-3,4-dihydro-2H-chromene-8-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cccc2c1OCCC2O.
What is the InChIKey of N-(3,4-difluorophenyl)-4-hydroxy-3,4-dihydro-2H-chromene-8-carboxamide?
The InChIKey is YMZUYAWWSBWBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO3/c17-12-5-4-9(8-13(12)18)19-16(21)11-3-1-2-10-14(20)6-7-22-15(10)11/h1-5,8,14,20H,6-7H2,(H,19,21).
What are the key properties of N-(3,4-difluorophenyl)-4-hydroxy-3,4-dihydro-2H-chromene-8-carboxamide?
N-(3,4-difluorophenyl)-4-hydroxy-3,4-dihydro-2H-chromene-8-carboxamide has a molecular weight of 305.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-hydroxy-3,4-dihydro-2H-chromene-8-carboxamide is sourced from PubChem (CID 134348335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).