3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide

C19H21ClN2O2 — CID 109054733

IUPAC3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-19(2,3)22-18(24)14-9-6-8-13(11-14)17(23)21-12-15-7-4-5-10-16(15)20/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyWYUQPKULRCVPQT-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.80
Rot. Bonds4

About 3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide

3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 109054733) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID109054733
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-19(2,3)22-18(24)14-9-6-8-13(11-14)17(23)21-12-15-7-4-5-10-16(15)20/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyWYUQPKULRCVPQT-UHFFFAOYSA-N
XLogP3.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-[[[N-[(2-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111174855
6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097887
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054654
N-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide
CID 9209764
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
CID 2971835
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 48847731
5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105517
N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide
CID 17194215
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 110600760

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide (CID 109054733) is 3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide is CC(C)(C)NC(=O)c1cccc(C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of 3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is WYUQPKULRCVPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-19(2,3)22-18(24)14-9-6-8-13(11-14)17(23)21-12-15-7-4-5-10-16(15)20/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide?
3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 344.84 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).