N-benzyl-4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzamide

C23H28ClNO — CID 4566053

IUPACN-benzyl-4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzamide
SMILESCC(C1C(C)(C)C1(C)C)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H28ClNO/c1-16(20-22(2,3)23(20,4)5)25(15-17-9-7-6-8-10-17)21(26)18-11-13-19(24)14-12-18/h6-14,16,20H,15H2,1-5H3
InChIKeySRYMIKOPEJOVGD-UHFFFAOYSA-N
MW369.94 g/mol
LogP6.05
Rot. Bonds5

About N-benzyl-4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzamide

N-benzyl-4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzamide (PubChem CID 4566053) has the molecular formula C23H28ClNO and a molecular weight of 369.94 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzamide
PubChem CID4566053
Molecular FormulaC23H28ClNO
Molecular Weight369.94 g/mol
Exact Mass369.19
IUPAC NameN-benzyl-4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzamide
SMILESCC(C1C(C)(C)C1(C)C)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H28ClNO/c1-16(20-22(2,3)23(20,4)5)25(15-17-9-7-6-8-10-17)21(26)18-11-13-19(24)14-12-18/h6-14,16,20H,15H2,1-5H3
InChIKeySRYMIKOPEJOVGD-UHFFFAOYSA-N
XLogP6.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.94
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide
CID 92643816
4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide
CID 42657158
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide
CID 42695710
4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109048603
N,N-dibenzyl-4-propan-2-ylbenzamide
CID 5101447
N-benzyl-2-[(4-chlorophenyl)methylamino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109257696
N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 30099628
1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea
CID 550184
N-benzyl-4-fluoro-N-propan-2-yl-3-sulfanylbenzamide
CID 107020657
N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477971
2-[(4-chlorobenzoyl)-methylamino]-2-phenylacetic acid
CID 12039666

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzamide?
The IUPAC name of N-benzyl-4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzamide (CID 4566053) is N-benzyl-4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzamide.
What is the SMILES notation for N-benzyl-4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzamide?
The canonical SMILES for N-benzyl-4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzamide is CC(C1C(C)(C)C1(C)C)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzamide?
The InChIKey is SRYMIKOPEJOVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO/c1-16(20-22(2,3)23(20,4)5)25(15-17-9-7-6-8-10-17)21(26)18-11-13-19(24)14-12-18/h6-14,16,20H,15H2,1-5H3.
What are the key properties of N-benzyl-4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzamide?
N-benzyl-4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzamide has a molecular weight of 369.94 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzamide is sourced from PubChem (CID 4566053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).