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

C15H14BrClN2O — CID 66484299

IUPACN-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide
SMILESCCC(NC(=O)c1ccncc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrClN2O/c1-2-14(10-3-5-11(16)6-4-10)19-15(20)12-7-8-18-9-13(12)17/h3-9,14H,2H2,1H3,(H,19,20)
InChIKeyIBAPJYRHRFWSAL-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.38
Rot. Bonds4

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

N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide (PubChem CID 66484299) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide
PubChem CID66484299
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC NameN-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide
SMILESCCC(NC(=O)c1ccncc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrClN2O/c1-2-14(10-3-5-11(16)6-4-10)19-15(20)12-7-8-18-9-13(12)17/h3-9,14H,2H2,1H3,(H,19,20)
InChIKeyIBAPJYRHRFWSAL-UHFFFAOYSA-N
XLogP4.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)propyl]-4-chloropyridine-3-carboxamide
CID 81226484
N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 81229401
N-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide
CID 106550859
3-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide
CID 66484685
N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide
CID 60674486
3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 125177974
(2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid
CID 66462208
N-[1-(4-bromophenyl)propyl]-6-chloropyridazine-3-carboxamide
CID 61041098
N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide
CID 17399690
2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide
CID 114917750
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide
CID 75393333

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide (CID 66484299) is N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide is CCC(NC(=O)c1ccncc1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide?
The InChIKey is IBAPJYRHRFWSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-2-14(10-3-5-11(16)6-4-10)19-15(20)12-7-8-18-9-13(12)17/h3-9,14H,2H2,1H3,(H,19,20).
What are the key properties of N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide?
N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide has a molecular weight of 353.65 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 66484299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).