4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide

C20H24ClN3O2 — CID 54832867

IUPAC4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNCc2ccccc2Cl)cc1
InChIInChI=1S/C20H24ClN3O2/c1-3-24(4-2)20(26)15-9-11-17(12-10-15)23-19(25)14-22-13-16-7-5-6-8-18(16)21/h5-12,22H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyNMXHTBYZJJIDCB-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.55
Rot. Bonds8

About 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide

4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide (PubChem CID 54832867) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide
PubChem CID54832867
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNCc2ccccc2Cl)cc1
InChIInChI=1S/C20H24ClN3O2/c1-3-24(4-2)20(26)15-9-11-17(12-10-15)23-19(25)14-22-13-16-7-5-6-8-18(16)21/h5-12,22H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyNMXHTBYZJJIDCB-UHFFFAOYSA-N
XLogP3.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832397
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54832614
N,N-diethyl-4-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78908465
4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54815634
2-[(2-chlorophenyl)methylamino]-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54832705
4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 51254446
2-[(2-chlorophenyl)methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 54832861
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propylbenzamide
CID 54832679
N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide
CID 54835495
N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide
CID 54808879

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide (CID 54832867) is 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)CNCc2ccccc2Cl)cc1.
What is the InChIKey of 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is NMXHTBYZJJIDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-3-24(4-2)20(26)15-9-11-17(12-10-15)23-19(25)14-22-13-16-7-5-6-8-18(16)21/h5-12,22H,3-4,13-14H2,1-2H3,(H,23,25).
What are the key properties of 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide?
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 373.88 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 54832867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).