N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide

C12H10ClN3O2 — CID 116798448

IUPACN-(2-chloropyrimidin-4-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccnc(Cl)n2)cc1
InChIInChI=1S/C12H10ClN3O2/c1-18-9-4-2-8(3-5-9)11(17)15-10-6-7-14-12(13)16-10/h2-7H,1H3,(H,14,15,16,17)
InChIKeyHPDIJBNATJEEOW-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.39
Rot. Bonds3

About N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide

N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide (PubChem CID 116798448) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-4-methoxybenzamide
PubChem CID116798448
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC NameN-(2-chloropyrimidin-4-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccnc(Cl)n2)cc1
InChIInChI=1S/C12H10ClN3O2/c1-18-9-4-2-8(3-5-9)11(17)15-10-6-7-14-12(13)16-10/h2-7H,1H3,(H,14,15,16,17)
InChIKeyHPDIJBNATJEEOW-UHFFFAOYSA-N
XLogP2.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
N-(2-chloropyrimidin-4-yl)-5-methylfuran-3-carboxamide
CID 114824082
3-chloro-N-(2-chloropyrimidin-4-yl)benzamide
CID 116798431
2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide
CID 116794886
N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide
CID 116795223
4-hydroxy-N-(4-methoxy-2-pyridinyl)benzamide
CID 121273557
4-N-(4-chlorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092859
N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide
CID 116795042
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
N-[3-chloro-5-[(4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 68786791
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide
CID 102821471
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide
CID 10475851

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide (CID 116798448) is N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccnc(Cl)n2)cc1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide?
The InChIKey is HPDIJBNATJEEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-18-9-4-2-8(3-5-9)11(17)15-10-6-7-14-12(13)16-10/h2-7H,1H3,(H,14,15,16,17).
What are the key properties of N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide?
N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide has a molecular weight of 263.68 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide is sourced from PubChem (CID 116798448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).