4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide

C22H26ClN3O2 — CID 54844214

IUPAC4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
SMILESO=C(CNc1ccc(C(=O)NC2CCCCC2)cc1)NCc1ccccc1Cl
InChIInChI=1S/C22H26ClN3O2/c23-20-9-5-4-6-17(20)14-25-21(27)15-24-18-12-10-16(11-13-18)22(28)26-19-7-2-1-3-8-19/h4-6,9-13,19,24H,1-3,7-8,14-15H2,(H,25,27)(H,26,28)
InChIKeyWWSSOBUGELFSPO-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.13
Rot. Bonds7

About 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide

4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide (PubChem CID 54844214) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
PubChem CID54844214
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
SMILESO=C(CNc1ccc(C(=O)NC2CCCCC2)cc1)NCc1ccccc1Cl
InChIInChI=1S/C22H26ClN3O2/c23-20-9-5-4-6-17(20)14-25-21(27)15-24-18-12-10-16(11-13-18)22(28)26-19-7-2-1-3-8-19/h4-6,9-13,19,24H,1-3,7-8,14-15H2,(H,25,27)(H,26,28)
InChIKeyWWSSOBUGELFSPO-UHFFFAOYSA-N
XLogP4.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836415
N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 54843826
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836241
2-(4-chloroanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 26417208
N-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide
CID 109021356
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 5167507
N-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54843811
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816004
4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54814827
N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide
CID 108998040
N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide
CID 54835495
N-cyclopropyl-4-[[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]amino]benzamide
CID 32976847

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide (CID 54844214) is 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide is O=C(CNc1ccc(C(=O)NC2CCCCC2)cc1)NCc1ccccc1Cl.
What is the InChIKey of 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The InChIKey is WWSSOBUGELFSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c23-20-9-5-4-6-17(20)14-25-21(27)15-24-18-12-10-16(11-13-18)22(28)26-19-7-2-1-3-8-19/h4-6,9-13,19,24H,1-3,7-8,14-15H2,(H,25,27)(H,26,28).
What are the key properties of 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide?
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide has a molecular weight of 399.92 g/mol, XLogP of 4.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 54844214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).