N-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide

C17H18BrClN2O3 — CID 60522037

IUPACN-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)cn2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C17H18BrClN2O3/c1-10(2)9-24-16-13(19)6-11(7-14(16)23-3)17(22)21-15-5-4-12(18)8-20-15/h4-8,10H,9H2,1-3H3,(H,20,21,22)
InChIKeyRXXRKRCJNYUJJG-UHFFFAOYSA-N
MW413.70 g/mol
LogP4.79
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide

N-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide (PubChem CID 60522037) has the molecular formula C17H18BrClN2O3 and a molecular weight of 413.70 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
PubChem CID60522037
Molecular FormulaC17H18BrClN2O3
Molecular Weight413.70 g/mol
Exact Mass412.02
IUPAC NameN-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)cn2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C17H18BrClN2O3/c1-10(2)9-24-16-13(19)6-11(7-14(16)23-3)17(22)21-15-5-4-12(18)8-20-15/h4-8,10H,9H2,1-3H3,(H,20,21,22)
InChIKeyRXXRKRCJNYUJJG-UHFFFAOYSA-N
XLogP4.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.70
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(5-chloro-2-pyridinyl)-5-methoxy-4-propan-2-yloxybenzamide
CID 34135778
3-chloro-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 75468298
3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 17395012
3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
CID 2599000
2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid
CID 119218308
N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide
CID 5346053
2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
CID 7994307
3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 55333896
3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide
CID 23935414
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 26799191
N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide
CID 43132088

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide (CID 60522037) is N-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide is COc1cc(C(=O)Nc2ccc(Br)cn2)cc(Cl)c1OCC(C)C.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide?
The InChIKey is RXXRKRCJNYUJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O3/c1-10(2)9-24-16-13(19)6-11(7-14(16)23-3)17(22)21-15-5-4-12(18)8-20-15/h4-8,10H,9H2,1-3H3,(H,20,21,22).
What are the key properties of N-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide?
N-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide has a molecular weight of 413.70 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 60522037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).