2,3-dichloro-N-[1-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]benzamide

C20H24Cl2N4O2 — CID 56552360

IUPAC2,3-dichloro-N-[1-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cc(CC2CCCCC2)[nH]n1
InChIInChI=1S/C20H24Cl2N4O2/c1-12(23-20(28)15-8-5-9-16(21)18(15)22)19(27)24-17-11-14(25-26-17)10-13-6-3-2-4-7-13/h5,8-9,11-13H,2-4,6-7,10H2,1H3,(H,23,28)(H2,24,25,26,27)
InChIKeyVCTAFETWCHRDRM-UHFFFAOYSA-N
MW423.34 g/mol
LogP4.60
Rot. Bonds6

About 2,3-dichloro-N-[1-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]benzamide

2,3-dichloro-N-[1-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]benzamide (PubChem CID 56552360) has the molecular formula C20H24Cl2N4O2 and a molecular weight of 423.34 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]benzamide
PubChem CID56552360
Molecular FormulaC20H24Cl2N4O2
Molecular Weight423.34 g/mol
Exact Mass422.13
IUPAC Name2,3-dichloro-N-[1-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cc(CC2CCCCC2)[nH]n1
InChIInChI=1S/C20H24Cl2N4O2/c1-12(23-20(28)15-8-5-9-16(21)18(15)22)19(27)24-17-11-14(25-26-17)10-13-6-3-2-4-7-13/h5,8-9,11-13H,2-4,6-7,10H2,1H3,(H,23,28)(H2,24,25,26,27)
InChIKeyVCTAFETWCHRDRM-UHFFFAOYSA-N
XLogP4.60
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]benzamide (CID 56552360) is 2,3-dichloro-N-[1-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cc(CC2CCCCC2)[nH]n1.
What is the InChIKey of 2,3-dichloro-N-[1-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is VCTAFETWCHRDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O2/c1-12(23-20(28)15-8-5-9-16(21)18(15)22)19(27)24-17-11-14(25-26-17)10-13-6-3-2-4-7-13/h5,8-9,11-13H,2-4,6-7,10H2,1H3,(H,23,28)(H2,24,25,26,27).
What are the key properties of 2,3-dichloro-N-[1-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]benzamide?
2,3-dichloro-N-[1-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 423.34 g/mol, XLogP of 4.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 56552360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).