(4S)-4-amino-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride

C16H15Cl2FN2O2 — CID 134348459

IUPAC(4S)-4-amino-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride
SMILESCl.N[C@H]1CCOc2c(C(=O)Nc3ccc(F)c(Cl)c3)cccc21
InChIInChI=1S/C16H14ClFN2O2.ClH/c17-12-8-9(4-5-13(12)18)20-16(21)11-3-1-2-10-14(19)6-7-22-15(10)11;/h1-5,8,14H,6-7,19H2,(H,20,21);1H/t14-;/m0./s1
InChIKeyLIGONDNJVITQCQ-UQKRIMTDSA-N
MW357.21 g/mol
LogP3.94
Rot. Bonds2

About (4S)-4-amino-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride

(4S)-4-amino-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride (PubChem CID 134348459) has the molecular formula C16H15Cl2FN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is (4S)-4-amino-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride.

Molecular Properties

Compound Name(4S)-4-amino-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride
PubChem CID134348459
Molecular FormulaC16H15Cl2FN2O2
Molecular Weight357.21 g/mol
Exact Mass356.05
IUPAC Name(4S)-4-amino-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride
SMILESCl.N[C@H]1CCOc2c(C(=O)Nc3ccc(F)c(Cl)c3)cccc21
InChIInChI=1S/C16H14ClFN2O2.ClH/c17-12-8-9(4-5-13(12)18)20-16(21)11-3-1-2-10-14(19)6-7-22-15(10)11;/h1-5,8,14H,6-7,19H2,(H,20,21);1H/t14-;/m0./s1
InChIKeyLIGONDNJVITQCQ-UQKRIMTDSA-N
XLogP3.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[[(S)-tert-butylsulfinyl]amino]-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide
CID 134348603
[(4S)-8-[(3-chloro-4-fluorophenyl)carbamoyl]-5-fluoro-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 134348560
(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
N-(3,4-difluorophenyl)-4-hydroxy-3,4-dihydro-2H-chromene-8-carboxamide
CID 134348335
[(4S)-8-[(3-chloro-4-fluorophenyl)carbamoyl]-5-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamic acid;hydrochloride
CID 134348406
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
N-(3-chloro-4-fluorophenyl)-1,3-benzodioxole-4-carboxamide
CID 110699491
(4S)-4-amino-N-(3,4-difluorophenyl)-6-nitro-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride
CID 134348572
4-amino-5-fluoro-N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromene-8-carboxamide
CID 134348372
(3-chloro-2-pyridinyl)methyl N-[(4S)-8-[(3,4-difluorophenyl)carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamate;hydrochloride
CID 142306109
methyl N-[(4R)-8-[(3-chloro-4-fluorophenyl)carbamoyl]-5-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 139340231
N-(3,4-difluorophenyl)-4-pyridin-3-yl-3,4-dihydro-2H-chromene-8-carboxamide
CID 134348376

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride?
The IUPAC name of (4S)-4-amino-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride (CID 134348459) is (4S)-4-amino-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride.
What is the SMILES notation for (4S)-4-amino-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride?
The canonical SMILES for (4S)-4-amino-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride is Cl.N[C@H]1CCOc2c(C(=O)Nc3ccc(F)c(Cl)c3)cccc21.
What is the InChIKey of (4S)-4-amino-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride?
The InChIKey is LIGONDNJVITQCQ-UQKRIMTDSA-N. The full InChI is InChI=1S/C16H14ClFN2O2.ClH/c17-12-8-9(4-5-13(12)18)20-16(21)11-3-1-2-10-14(19)6-7-22-15(10)11;/h1-5,8,14H,6-7,19H2,(H,20,21);1H/t14-;/m0./s1.
What are the key properties of (4S)-4-amino-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride?
(4S)-4-amino-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride has a molecular weight of 357.21 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride is sourced from PubChem (CID 134348459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).