N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-hydroxybenzamide

C21H23ClN2O3 — CID 54587661

IUPACN-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-hydroxybenzamide
SMILESO=C(NC(C(=O)NC1CCCCC1)c1ccc(Cl)cc1)c1ccccc1O
InChIInChI=1S/C21H23ClN2O3/c22-15-12-10-14(11-13-15)19(21(27)23-16-6-2-1-3-7-16)24-20(26)17-8-4-5-9-18(17)25/h4-5,8-13,16,19,25H,1-3,6-7H2,(H,23,27)(H,24,26)
InChIKeyLEJBABSFPWZMHU-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.97
Rot. Bonds5

About N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-hydroxybenzamide

N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-hydroxybenzamide (PubChem CID 54587661) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-hydroxybenzamide
PubChem CID54587661
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-hydroxybenzamide
SMILESO=C(NC(C(=O)NC1CCCCC1)c1ccc(Cl)cc1)c1ccccc1O
InChIInChI=1S/C21H23ClN2O3/c22-15-12-10-14(11-13-15)19(21(27)23-16-6-2-1-3-7-16)24-20(26)17-8-4-5-9-18(17)25/h4-5,8-13,16,19,25H,1-3,6-7H2,(H,23,27)(H,24,26)
InChIKeyLEJBABSFPWZMHU-UHFFFAOYSA-N
XLogP3.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-hydroxybenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-hydroxybenzamide (CID 54587661) is N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-hydroxybenzamide is O=C(NC(C(=O)NC1CCCCC1)c1ccc(Cl)cc1)c1ccccc1O.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-hydroxybenzamide?
The InChIKey is LEJBABSFPWZMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c22-15-12-10-14(11-13-15)19(21(27)23-16-6-2-1-3-7-16)24-20(26)17-8-4-5-9-18(17)25/h4-5,8-13,16,19,25H,1-3,6-7H2,(H,23,27)(H,24,26).
What are the key properties of N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-hydroxybenzamide?
N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-hydroxybenzamide has a molecular weight of 386.88 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-hydroxybenzamide is sourced from PubChem (CID 54587661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).