N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-chlorobenzamide

C19H21ClN2O2 — CID 112995074

IUPACN-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-chlorobenzamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-14(2)22(13-15-8-4-3-5-9-15)18(23)12-21-19(24)16-10-6-7-11-17(16)20/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyAMJOZHSJZHIRGX-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.51
Rot. Bonds6

About N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-chlorobenzamide

N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-chlorobenzamide (PubChem CID 112995074) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-chlorobenzamide
PubChem CID112995074
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-chlorobenzamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-14(2)22(13-15-8-4-3-5-9-15)18(23)12-21-19(24)16-10-6-7-11-17(16)20/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyAMJOZHSJZHIRGX-UHFFFAOYSA-N
XLogP3.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 112995050
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55926275
N-benzyl-2-[(2-phenoxyacetyl)amino]-N-propan-2-ylacetamide
CID 112995071
2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 134063159
3-[[2-[(2-chlorobenzoyl)amino]acetyl]-methylamino]propanoic acid
CID 60988640
N-benzyl-2-methyl-N-propan-2-ylbenzamide
CID 562391
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51160864
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
CID 120518304
N-[2-[benzyl(butan-2-yl)amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 112795398

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-chlorobenzamide (CID 112995074) is N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-chlorobenzamide is CC(C)N(Cc1ccccc1)C(=O)CNC(=O)c1ccccc1Cl.
What is the InChIKey of N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-chlorobenzamide?
The InChIKey is AMJOZHSJZHIRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14(2)22(13-15-8-4-3-5-9-15)18(23)12-21-19(24)16-10-6-7-11-17(16)20/h3-11,14H,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-chlorobenzamide?
N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-chlorobenzamide has a molecular weight of 344.84 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-chlorobenzamide is sourced from PubChem (CID 112995074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).