N-[4-[4-[(2-aminoacetyl)amino]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide

C22H26ClN3O2 — CID 75454393

IUPACN-[4-[4-[(2-aminoacetyl)amino]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)C1CCC(c2ccc(NC(=O)CN)cc2)CC1
InChIInChI=1S/C22H26ClN3O2/c1-26(22(28)17-2-8-18(23)9-3-17)20-12-6-16(7-13-20)15-4-10-19(11-5-15)25-21(27)14-24/h2-5,8-11,16,20H,6-7,12-14,24H2,1H3,(H,25,27)
InChIKeyLVVVENDLBRUYSE-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.04
Rot. Bonds5

About N-[4-[4-[(2-aminoacetyl)amino]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide

N-[4-[4-[(2-aminoacetyl)amino]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide (PubChem CID 75454393) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-[4-[4-[(2-aminoacetyl)amino]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-[4-[(2-aminoacetyl)amino]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide
PubChem CID75454393
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-[4-[4-[(2-aminoacetyl)amino]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)C1CCC(c2ccc(NC(=O)CN)cc2)CC1
InChIInChI=1S/C22H26ClN3O2/c1-26(22(28)17-2-8-18(23)9-3-17)20-12-6-16(7-13-20)15-4-10-19(11-5-15)25-21(27)14-24/h2-5,8-11,16,20H,6-7,12-14,24H2,1H3,(H,25,27)
InChIKeyLVVVENDLBRUYSE-UHFFFAOYSA-N
XLogP4.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2-aminoacetyl)amino]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide?
The IUPAC name of N-[4-[4-[(2-aminoacetyl)amino]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide (CID 75454393) is N-[4-[4-[(2-aminoacetyl)amino]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide.
What is the SMILES notation for N-[4-[4-[(2-aminoacetyl)amino]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide?
The canonical SMILES for N-[4-[4-[(2-aminoacetyl)amino]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide is CN(C(=O)c1ccc(Cl)cc1)C1CCC(c2ccc(NC(=O)CN)cc2)CC1.
What is the InChIKey of N-[4-[4-[(2-aminoacetyl)amino]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide?
The InChIKey is LVVVENDLBRUYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-26(22(28)17-2-8-18(23)9-3-17)20-12-6-16(7-13-20)15-4-10-19(11-5-15)25-21(27)14-24/h2-5,8-11,16,20H,6-7,12-14,24H2,1H3,(H,25,27).
What are the key properties of N-[4-[4-[(2-aminoacetyl)amino]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide?
N-[4-[4-[(2-aminoacetyl)amino]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide has a molecular weight of 399.92 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2-aminoacetyl)amino]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide is sourced from PubChem (CID 75454393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).