N-[1-(3-bromophenyl)cyclobutyl]-4-chloropyridine-2-carboxamide

C16H14BrClN2O — CID 55983214

IUPACN-[1-(3-bromophenyl)cyclobutyl]-4-chloropyridine-2-carboxamide
SMILESO=C(NC1(c2cccc(Br)c2)CCC1)c1cc(Cl)ccn1
InChIInChI=1S/C16H14BrClN2O/c17-12-4-1-3-11(9-12)16(6-2-7-16)20-15(21)14-10-13(18)5-8-19-14/h1,3-5,8-10H,2,6-7H2,(H,20,21)
InChIKeyRPVHORODLBUHPS-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.31
Rot. Bonds3

About N-[1-(3-bromophenyl)cyclobutyl]-4-chloropyridine-2-carboxamide

N-[1-(3-bromophenyl)cyclobutyl]-4-chloropyridine-2-carboxamide (PubChem CID 55983214) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)cyclobutyl]-4-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)cyclobutyl]-4-chloropyridine-2-carboxamide
PubChem CID55983214
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC NameN-[1-(3-bromophenyl)cyclobutyl]-4-chloropyridine-2-carboxamide
SMILESO=C(NC1(c2cccc(Br)c2)CCC1)c1cc(Cl)ccn1
InChIInChI=1S/C16H14BrClN2O/c17-12-4-1-3-11(9-12)16(6-2-7-16)20-15(21)14-10-13(18)5-8-19-14/h1,3-5,8-10H,2,6-7H2,(H,20,21)
InChIKeyRPVHORODLBUHPS-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)cyclopropyl]pyridine-2-carboxamide
CID 110444338
N-[1-(3-bromophenyl)cyclobutyl]pyrimidin-2-amine
CID 175322826
N-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide
CID 136515658
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide
CID 78831230
N-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide
CID 170994125
N-[1-(3-bromophenyl)cyclobutyl]-2-(tetrazol-1-yl)acetamide
CID 51090736
N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide
CID 43111935
N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196
N-[4-[[1-(3-bromophenyl)cyclobutyl]carbamoylamino]-3-chlorophenyl]acetamide
CID 56556972
N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide
CID 57406121
4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)cyclobutyl]-4-chloropyridine-2-carboxamide?
The IUPAC name of N-[1-(3-bromophenyl)cyclobutyl]-4-chloropyridine-2-carboxamide (CID 55983214) is N-[1-(3-bromophenyl)cyclobutyl]-4-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3-bromophenyl)cyclobutyl]-4-chloropyridine-2-carboxamide?
The canonical SMILES for N-[1-(3-bromophenyl)cyclobutyl]-4-chloropyridine-2-carboxamide is O=C(NC1(c2cccc(Br)c2)CCC1)c1cc(Cl)ccn1.
What is the InChIKey of N-[1-(3-bromophenyl)cyclobutyl]-4-chloropyridine-2-carboxamide?
The InChIKey is RPVHORODLBUHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c17-12-4-1-3-11(9-12)16(6-2-7-16)20-15(21)14-10-13(18)5-8-19-14/h1,3-5,8-10H,2,6-7H2,(H,20,21).
What are the key properties of N-[1-(3-bromophenyl)cyclobutyl]-4-chloropyridine-2-carboxamide?
N-[1-(3-bromophenyl)cyclobutyl]-4-chloropyridine-2-carboxamide has a molecular weight of 365.66 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)cyclobutyl]-4-chloropyridine-2-carboxamide is sourced from PubChem (CID 55983214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).