2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide

C17H18ClNO2 — CID 39431489

IUPAC2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide
SMILESCc1ccc(COc2ccc(NC(=O)CCl)c(C)c2)cc1
InChIInChI=1S/C17H18ClNO2/c1-12-3-5-14(6-4-12)11-21-15-7-8-16(13(2)9-15)19-17(20)10-18/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyBYMIEILQFONWFI-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.06
Rot. Bonds5

About 2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide

2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide (PubChem CID 39431489) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide
PubChem CID39431489
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide
SMILESCc1ccc(COc2ccc(NC(=O)CCl)c(C)c2)cc1
InChIInChI=1S/C17H18ClNO2/c1-12-3-5-14(6-4-12)11-21-15-7-8-16(13(2)9-15)19-17(20)10-18/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyBYMIEILQFONWFI-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-methyl-4-prop-2-enoxyphenyl)acetamide
CID 92931806
N-(4-methoxy-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 17087411
N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 3046011
3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933888
1-(2-hydroxyethyl)-3-(2-methyl-4-phenylmethoxyphenyl)urea
CID 111424849
N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide
CID 119773656
N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide
CID 4008136
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide
CID 105351415
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 1122557
4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 120562273
methyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate
CID 139811023
N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119773673

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide (CID 39431489) is 2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide is Cc1ccc(COc2ccc(NC(=O)CCl)c(C)c2)cc1.
What is the InChIKey of 2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide?
The InChIKey is BYMIEILQFONWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12-3-5-14(6-4-12)11-21-15-7-8-16(13(2)9-15)19-17(20)10-18/h3-9H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide?
2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide has a molecular weight of 303.79 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide is sourced from PubChem (CID 39431489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).