N-[(R)-(4-bromo-2-fluorophenyl)-phenylmethyl]-6-methylpyridine-3-carboxamide

C20H16BrFN2O — CID 52688316

IUPACN-[(R)-(4-bromo-2-fluorophenyl)-phenylmethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)cn1
InChIInChI=1S/C20H16BrFN2O/c1-13-7-8-15(12-23-13)20(25)24-19(14-5-3-2-4-6-14)17-10-9-16(21)11-18(17)22/h2-12,19H,1H3,(H,24,25)/t19-/m1/s1
InChIKeySYQYOMBUYDKKCX-LJQANCHMSA-N
MW399.26 g/mol
LogP4.81
Rot. Bonds4

About N-[(R)-(4-bromo-2-fluorophenyl)-phenylmethyl]-6-methylpyridine-3-carboxamide

N-[(R)-(4-bromo-2-fluorophenyl)-phenylmethyl]-6-methylpyridine-3-carboxamide (PubChem CID 52688316) has the molecular formula C20H16BrFN2O and a molecular weight of 399.26 g/mol. Its IUPAC name is N-[(R)-(4-bromo-2-fluorophenyl)-phenylmethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-bromo-2-fluorophenyl)-phenylmethyl]-6-methylpyridine-3-carboxamide
PubChem CID52688316
Molecular FormulaC20H16BrFN2O
Molecular Weight399.26 g/mol
Exact Mass398.04
IUPAC NameN-[(R)-(4-bromo-2-fluorophenyl)-phenylmethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)cn1
InChIInChI=1S/C20H16BrFN2O/c1-13-7-8-15(12-23-13)20(25)24-19(14-5-3-2-4-6-14)17-10-9-16(21)11-18(17)22/h2-12,19H,1H3,(H,24,25)/t19-/m1/s1
InChIKeySYQYOMBUYDKKCX-LJQANCHMSA-N
XLogP4.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.26
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 6-[[(4-bromo-2-fluorophenyl)-phenylmethyl]carbamoyl]pyridine-3-carboxylate
CID 55991772
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]furan-2-carboxamide
CID 55857773
4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide
CID 120560847
N-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 60523190
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide
CID 94608879
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119738549
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55856735
2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide
CID 55990114
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide
CID 61121780
N-[(R)-(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2203223
N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2953170
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 60523191

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-bromo-2-fluorophenyl)-phenylmethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(R)-(4-bromo-2-fluorophenyl)-phenylmethyl]-6-methylpyridine-3-carboxamide (CID 52688316) is N-[(R)-(4-bromo-2-fluorophenyl)-phenylmethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(R)-(4-bromo-2-fluorophenyl)-phenylmethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(R)-(4-bromo-2-fluorophenyl)-phenylmethyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)cn1.
What is the InChIKey of N-[(R)-(4-bromo-2-fluorophenyl)-phenylmethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is SYQYOMBUYDKKCX-LJQANCHMSA-N. The full InChI is InChI=1S/C20H16BrFN2O/c1-13-7-8-15(12-23-13)20(25)24-19(14-5-3-2-4-6-14)17-10-9-16(21)11-18(17)22/h2-12,19H,1H3,(H,24,25)/t19-/m1/s1.
What are the key properties of N-[(R)-(4-bromo-2-fluorophenyl)-phenylmethyl]-6-methylpyridine-3-carboxamide?
N-[(R)-(4-bromo-2-fluorophenyl)-phenylmethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 399.26 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-bromo-2-fluorophenyl)-phenylmethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 52688316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).