N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide

C22H24Cl2N2O3 — CID 44535283

IUPACN-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide
SMILESCC(NC(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C22H24Cl2N2O3/c1-13(21(28)26-16-5-3-2-4-6-16)25-22(29)15-8-10-20(27)17(11-15)14-7-9-18(23)19(24)12-14/h7-13,16,27H,2-6H2,1H3,(H,25,29)(H,26,28)
InChIKeyGPQAPRCUBPGOJW-UHFFFAOYSA-N
MW435.35 g/mol
LogP4.93
Rot. Bonds5

About N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide

N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide (PubChem CID 44535283) has the molecular formula C22H24Cl2N2O3 and a molecular weight of 435.35 g/mol. Its IUPAC name is N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide
PubChem CID44535283
Molecular FormulaC22H24Cl2N2O3
Molecular Weight435.35 g/mol
Exact Mass434.12
IUPAC NameN-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide
SMILESCC(NC(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C22H24Cl2N2O3/c1-13(21(28)26-16-5-3-2-4-6-16)25-22(29)15-8-10-20(27)17(11-15)14-7-9-18(23)19(24)12-14/h7-13,16,27H,2-6H2,1H3,(H,25,29)(H,26,28)
InChIKeyGPQAPRCUBPGOJW-UHFFFAOYSA-N
XLogP4.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide?
The IUPAC name of N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide (CID 44535283) is N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide.
What is the SMILES notation for N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide?
The canonical SMILES for N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide is CC(NC(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1)C(=O)NC1CCCCC1.
What is the InChIKey of N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide?
The InChIKey is GPQAPRCUBPGOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O3/c1-13(21(28)26-16-5-3-2-4-6-16)25-22(29)15-8-10-20(27)17(11-15)14-7-9-18(23)19(24)12-14/h7-13,16,27H,2-6H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide?
N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide has a molecular weight of 435.35 g/mol, XLogP of 4.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide is sourced from PubChem (CID 44535283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).