N-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide

C17H13BrClN3O2 — CID 35275447

IUPACN-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C17H13BrClN3O2/c1-24-16-7-2-12(19)8-15(16)17(23)21-13-3-5-14(6-4-13)22-10-11(18)9-20-22/h2-10H,1H3,(H,21,23)
InChIKeyITLPKFYCWVEVLS-UHFFFAOYSA-N
MW406.67 g/mol
LogP4.55
Rot. Bonds4

About N-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide

N-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide (PubChem CID 35275447) has the molecular formula C17H13BrClN3O2 and a molecular weight of 406.67 g/mol. Its IUPAC name is N-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide
PubChem CID35275447
Molecular FormulaC17H13BrClN3O2
Molecular Weight406.67 g/mol
Exact Mass404.99
IUPAC NameN-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C17H13BrClN3O2/c1-24-16-7-2-12(19)8-15(16)17(23)21-13-3-5-14(6-4-13)22-10-11(18)9-20-22/h2-10H,1H3,(H,21,23)
InChIKeyITLPKFYCWVEVLS-UHFFFAOYSA-N
XLogP4.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.67
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide
CID 35275522
4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide
CID 38761721
4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 38761795
N-(4-bromo-3-methylphenyl)-5-chloro-2-methoxybenzamide
CID 2198688
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
CID 4077998
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
2-bromo-N-[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17092733
3-bromo-N-[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17092737
N-(3-bromo-4-methoxyphenyl)-5-chloro-2-hydroxybenzamide
CID 63998623
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate
CID 35214415
N-(4-butylphenyl)-5-chloro-2-methoxybenzamide
CID 3544721

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide?
The IUPAC name of N-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide (CID 35275447) is N-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(-n2cc(Br)cn2)cc1.
What is the InChIKey of N-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide?
The InChIKey is ITLPKFYCWVEVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O2/c1-24-16-7-2-12(19)8-15(16)17(23)21-13-3-5-14(6-4-13)22-10-11(18)9-20-22/h2-10H,1H3,(H,21,23).
What are the key properties of N-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide?
N-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide has a molecular weight of 406.67 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 35275447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).