(3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

C17H15BrFNO3 — CID 92713276

IUPAC(3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(Br)cc1F)CO2
InChIInChI=1S/C17H15BrFNO3/c1-22-13-3-5-16-10(7-13)6-11(9-23-16)17(21)20-15-4-2-12(18)8-14(15)19/h2-5,7-8,11H,6,9H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyVMCOYMHKJTZGNX-NSHDSACASA-N
MW380.21 g/mol
LogP3.79
Rot. Bonds3

About (3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 92713276) has the molecular formula C17H15BrFNO3 and a molecular weight of 380.21 g/mol. Its IUPAC name is (3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID92713276
Molecular FormulaC17H15BrFNO3
Molecular Weight380.21 g/mol
Exact Mass379.02
IUPAC Name(3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(Br)cc1F)CO2
InChIInChI=1S/C17H15BrFNO3/c1-22-13-3-5-16-10(7-13)6-11(9-23-16)17(21)20-15-4-2-12(18)8-14(15)19/h2-5,7-8,11H,6,9H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyVMCOYMHKJTZGNX-NSHDSACASA-N
XLogP3.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-4-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 58191164
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033
N-(4-bromo-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60675882
N-[4-(2,3-dihydro-1,3-oxazol-5-yl)-3-fluorophenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 154966766
6-methoxy-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 139003442
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
CID 92713615
(3R)-6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9074373
N-(1-amino-2-methylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 119523565
2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-3-methylbutanoic acid
CID 119348268

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 92713276) is (3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(Br)cc1F)CO2.
What is the InChIKey of (3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is VMCOYMHKJTZGNX-NSHDSACASA-N. The full InChI is InChI=1S/C17H15BrFNO3/c1-22-13-3-5-16-10(7-13)6-11(9-23-16)17(21)20-15-4-2-12(18)8-14(15)19/h2-5,7-8,11H,6,9H2,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of (3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 380.21 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 92713276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).