N-benzyl-N-tert-butyl-3,4-dichlorobenzamide

C18H19Cl2NO — CID 888438

IUPACN-benzyl-N-tert-butyl-3,4-dichlorobenzamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2NO/c1-18(2,3)21(12-13-7-5-4-6-8-13)17(22)14-9-10-15(19)16(20)11-14/h4-11H,12H2,1-3H3
InChIKeyKIVPNHDHWZFGGN-UHFFFAOYSA-N
MW336.26 g/mol
LogP5.43
Rot. Bonds3

About N-benzyl-N-tert-butyl-3,4-dichlorobenzamide

N-benzyl-N-tert-butyl-3,4-dichlorobenzamide (PubChem CID 888438) has the molecular formula C18H19Cl2NO and a molecular weight of 336.26 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-3,4-dichlorobenzamide
PubChem CID888438
Molecular FormulaC18H19Cl2NO
Molecular Weight336.26 g/mol
Exact Mass335.08
IUPAC NameN-benzyl-N-tert-butyl-3,4-dichlorobenzamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2NO/c1-18(2,3)21(12-13-7-5-4-6-8-13)17(22)14-9-10-15(19)16(20)11-14/h4-11H,12H2,1-3H3
InChIKeyKIVPNHDHWZFGGN-UHFFFAOYSA-N
XLogP5.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.26
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[benzyl(tert-butyl)carbamoyl]-2-chlorophenyl]boronic acid
CID 99738087
N-benzyl-5-bromo-N-tert-butyl-2-chlorobenzamide
CID 2954043
2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 60649875
N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide
CID 15830435
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 27666006
N-benzyl-2-bromo-N-tert-butylbenzamide
CID 4539378
N-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 8781845
N-[(4-tert-butylphenyl)methyl]-3,4-dichloro-N-pyridin-2-ylbenzamide
CID 139583072
N-benzyl-N-tert-butyl-2-chloropropanamide
CID 131021272
N-benzyl-N-tert-butylnaphthalene-1-carboxamide
CID 10914114
N-benzyl-N-tert-butyl-2-(4-chloropyrazol-1-yl)acetamide
CID 52731675
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butyl-3,4-dichlorobenzamide?
The IUPAC name of N-benzyl-N-tert-butyl-3,4-dichlorobenzamide (CID 888438) is N-benzyl-N-tert-butyl-3,4-dichlorobenzamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-3,4-dichlorobenzamide?
The canonical SMILES for N-benzyl-N-tert-butyl-3,4-dichlorobenzamide is CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-benzyl-N-tert-butyl-3,4-dichlorobenzamide?
The InChIKey is KIVPNHDHWZFGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO/c1-18(2,3)21(12-13-7-5-4-6-8-13)17(22)14-9-10-15(19)16(20)11-14/h4-11H,12H2,1-3H3.
What are the key properties of N-benzyl-N-tert-butyl-3,4-dichlorobenzamide?
N-benzyl-N-tert-butyl-3,4-dichlorobenzamide has a molecular weight of 336.26 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-3,4-dichlorobenzamide is sourced from PubChem (CID 888438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).