N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide

C14H20ClNO — CID 78768741

IUPACN-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
SMILESCCC(CC)C(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c1-4-11(5-2)14(17)16(3)10-12-8-6-7-9-13(12)15/h6-9,11H,4-5,10H2,1-3H3
InChIKeyTYVQUBMZYXINOU-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.73
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide

N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide (PubChem CID 78768741) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
PubChem CID78768741
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
SMILESCCC(CC)C(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c1-4-11(5-2)14(17)16(3)10-12-8-6-7-9-13(12)15/h6-9,11H,4-5,10H2,1-3H3
InChIKeyTYVQUBMZYXINOU-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide
CID 54869039
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119682671
2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 61117245
2-chloro-N-[(2S)-1-[(2-chlorophenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 31146281
N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685447
2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 106591019
N-[(2-chlorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)-N,3-dimethylbutanamide
CID 76925096
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 60686804
N-[(2-chlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
CID 103732007
N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683172

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide (CID 78768741) is N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide is CCC(CC)C(=O)N(C)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide?
The InChIKey is TYVQUBMZYXINOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-4-11(5-2)14(17)16(3)10-12-8-6-7-9-13(12)15/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide?
N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide has a molecular weight of 253.77 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide is sourced from PubChem (CID 78768741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).