N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide

C18H20ClNO — CID 112790320

IUPACN-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide
SMILESCN(Cc1ccccc1Cl)C(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C18H20ClNO/c1-18(2,15-10-5-4-6-11-15)17(21)20(3)13-14-9-7-8-12-16(14)19/h4-12H,13H2,1-3H3
InChIKeyZBFJSNODNAKJNC-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.28
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide

N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide (PubChem CID 112790320) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide
PubChem CID112790320
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide
SMILESCN(Cc1ccccc1Cl)C(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C18H20ClNO/c1-18(2,15-10-5-4-6-11-15)17(21)20(3)13-14-9-7-8-12-16(14)19/h4-12H,13H2,1-3H3
InChIKeyZBFJSNODNAKJNC-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
CID 103732007
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2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
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2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide
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N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119682671
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
N-[(2-chlorophenyl)methyl]-N-methyl-3-phenylprop-2-ynamide
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3-[[(2-chlorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid
CID 61415066
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CID 79805999

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide (CID 112790320) is N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide is CN(Cc1ccccc1Cl)C(=O)C(C)(C)c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide?
The InChIKey is ZBFJSNODNAKJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-18(2,15-10-5-4-6-11-15)17(21)20(3)13-14-9-7-8-12-16(14)19/h4-12H,13H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide?
N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide has a molecular weight of 301.82 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide is sourced from PubChem (CID 112790320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).