4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide

C19H22ClNO — CID 99955818

IUPAC4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H22ClNO/c1-19(2,3)16-9-7-15(8-10-16)18(22)21(4)13-14-5-11-17(20)12-6-14/h5-12H,13H2,1-4H3
InChIKeyAAQGUAFAJNZYDU-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.91
Rot. Bonds3

About 4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide

4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide (PubChem CID 99955818) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
PubChem CID99955818
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H22ClNO/c1-19(2,3)16-9-7-15(8-10-16)18(22)21(4)13-14-5-11-17(20)12-6-14/h5-12H,13H2,1-4H3
InChIKeyAAQGUAFAJNZYDU-UHFFFAOYSA-N
XLogP4.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 31987355
N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide
CID 43056971
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 43908262
4-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 7958609
N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine
CID 139921620
4-(4-tert-butylphenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide
CID 167786860
N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 31987516
1-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)-1-methylthiourea
CID 8769838
N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 78768490

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide (CID 99955818) is 4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide is CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide?
The InChIKey is AAQGUAFAJNZYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-19(2,3)16-9-7-15(8-10-16)18(22)21(4)13-14-5-11-17(20)12-6-14/h5-12H,13H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide?
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide has a molecular weight of 315.84 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 99955818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).