(3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide

C20H21FN2O3 — CID 95091102

IUPAC(3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)NC(=O)[C@@H]1COc2ccc(NC(=O)c3ccc(F)cc3)cc2C1
InChIInChI=1S/C20H21FN2O3/c1-12(2)22-20(25)15-9-14-10-17(7-8-18(14)26-11-15)23-19(24)13-3-5-16(21)6-4-13/h3-8,10,12,15H,9,11H2,1-2H3,(H,22,25)(H,23,24)/t15-/m0/s1
InChIKeyLCWLXDCMMKPAHZ-HNNXBMFYSA-N
MW356.40 g/mol
LogP3.15
Rot. Bonds4

About (3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 95091102) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is (3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID95091102
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name(3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)NC(=O)[C@@H]1COc2ccc(NC(=O)c3ccc(F)cc3)cc2C1
InChIInChI=1S/C20H21FN2O3/c1-12(2)22-20(25)15-9-14-10-17(7-8-18(14)26-11-15)23-19(24)13-3-5-16(21)6-4-13/h3-8,10,12,15H,9,11H2,1-2H3,(H,22,25)(H,23,24)/t15-/m0/s1
InChIKeyLCWLXDCMMKPAHZ-HNNXBMFYSA-N
XLogP3.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091455
6-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123288
(3S)-6-[(4-bromobenzoyl)amino]-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091417
(3S)-6-[(4-fluorobenzoyl)amino]-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091127
(3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091374
(3R)-6-[(4-chlorobenzoyl)amino]-N-cyclopropyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091533
6-acetamido-N-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123420
N-[(4-fluorophenyl)methyl]-6-(3-methylbutanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123375
6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123430
(3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091522
(3S)-6-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091521
(3R)-6-[(2-fluorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091150

Frequently Asked Questions

What is the IUPAC name of (3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide (CID 95091102) is (3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide is CC(C)NC(=O)[C@@H]1COc2ccc(NC(=O)c3ccc(F)cc3)cc2C1.
What is the InChIKey of (3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is LCWLXDCMMKPAHZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-12(2)22-20(25)15-9-14-10-17(7-8-18(14)26-11-15)23-19(24)13-3-5-16(21)6-4-13/h3-8,10,12,15H,9,11H2,1-2H3,(H,22,25)(H,23,24)/t15-/m0/s1.
What are the key properties of (3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 95091102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).