5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide

C14H16ClN3O2 — CID 35276397

IUPAC5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)N[C@@H](C)c1cnn(C)c1
InChIInChI=1S/C14H16ClN3O2/c1-9(10-7-16-18(2)8-10)17-14(19)12-6-11(15)4-5-13(12)20-3/h4-9H,1-3H3,(H,17,19)/t9-/m0/s1
InChIKeyBMAKMOWOINUDPE-VIFPVBQESA-N
MW293.75 g/mol
LogP2.57
Rot. Bonds4

About 5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide

5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide (PubChem CID 35276397) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
PubChem CID35276397
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)N[C@@H](C)c1cnn(C)c1
InChIInChI=1S/C14H16ClN3O2/c1-9(10-7-16-18(2)8-10)17-14(19)12-6-11(15)4-5-13(12)20-3/h4-9H,1-3H3,(H,17,19)/t9-/m0/s1
InChIKeyBMAKMOWOINUDPE-VIFPVBQESA-N
XLogP2.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 45147188
5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide
CID 19469091
N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide
CID 43297510
2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110472970
2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]-5-methylsulfanylbenzamide
CID 45147156
3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35761538
3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110473486
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074
6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-oxopyridazine-4-carboxamide
CID 175278146
5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716401
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide (CID 35276397) is 5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide is COc1ccc(Cl)cc1C(=O)N[C@@H](C)c1cnn(C)c1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is BMAKMOWOINUDPE-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9(10-7-16-18(2)8-10)17-14(19)12-6-11(15)4-5-13(12)20-3/h4-9H,1-3H3,(H,17,19)/t9-/m0/s1.
What are the key properties of 5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide?
5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 293.75 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 35276397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).