N-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-2-oxoethyl]-3-(difluoromethoxy)benzamide

C22H26ClF2N3O3 — CID 43019801

IUPACN-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-2-oxoethyl]-3-(difluoromethoxy)benzamide
SMILESCCN(CC)C(CNC(=O)CNC(=O)c1cccc(OC(F)F)c1)c1ccccc1Cl
InChIInChI=1S/C22H26ClF2N3O3/c1-3-28(4-2)19(17-10-5-6-11-18(17)23)13-26-20(29)14-27-21(30)15-8-7-9-16(12-15)31-22(24)25/h5-12,19,22H,3-4,13-14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyKFMCJGYUXLODFI-UHFFFAOYSA-N
MW453.92 g/mol
LogP3.87
Rot. Bonds11

About N-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-2-oxoethyl]-3-(difluoromethoxy)benzamide

N-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-2-oxoethyl]-3-(difluoromethoxy)benzamide (PubChem CID 43019801) has the molecular formula C22H26ClF2N3O3 and a molecular weight of 453.92 g/mol. Its IUPAC name is N-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-2-oxoethyl]-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-2-oxoethyl]-3-(difluoromethoxy)benzamide
PubChem CID43019801
Molecular FormulaC22H26ClF2N3O3
Molecular Weight453.92 g/mol
Exact Mass453.16
IUPAC NameN-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-2-oxoethyl]-3-(difluoromethoxy)benzamide
SMILESCCN(CC)C(CNC(=O)CNC(=O)c1cccc(OC(F)F)c1)c1ccccc1Cl
InChIInChI=1S/C22H26ClF2N3O3/c1-3-28(4-2)19(17-10-5-6-11-18(17)23)13-26-20(29)14-27-21(30)15-8-7-9-16(12-15)31-22(24)25/h5-12,19,22H,3-4,13-14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyKFMCJGYUXLODFI-UHFFFAOYSA-N
XLogP3.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.92
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-2-oxoethyl]-3-(difluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide
CID 18167097
3-chloro-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]benzamide
CID 18280256
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybenzamide
CID 42279457
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide
CID 18161543
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
N-[2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 46521821
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide
CID 18269959
3-(difluoromethoxy)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 51160991
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide
CID 24667103
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 34949059
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 34948899
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-2-oxoethyl]-3-(difluoromethoxy)benzamide?
The IUPAC name of N-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-2-oxoethyl]-3-(difluoromethoxy)benzamide (CID 43019801) is N-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-2-oxoethyl]-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-2-oxoethyl]-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-2-oxoethyl]-3-(difluoromethoxy)benzamide is CCN(CC)C(CNC(=O)CNC(=O)c1cccc(OC(F)F)c1)c1ccccc1Cl.
What is the InChIKey of N-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-2-oxoethyl]-3-(difluoromethoxy)benzamide?
The InChIKey is KFMCJGYUXLODFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClF2N3O3/c1-3-28(4-2)19(17-10-5-6-11-18(17)23)13-26-20(29)14-27-21(30)15-8-7-9-16(12-15)31-22(24)25/h5-12,19,22H,3-4,13-14H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-2-oxoethyl]-3-(difluoromethoxy)benzamide?
N-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-2-oxoethyl]-3-(difluoromethoxy)benzamide has a molecular weight of 453.92 g/mol, XLogP of 3.87, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-2-oxoethyl]-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 43019801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).