2-chloro-N-methyl-N-phenyl-2-(4-propylphenoxy)acetamide

C18H20ClNO2 — CID 67173755

IUPAC2-chloro-N-methyl-N-phenyl-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OC(Cl)C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C18H20ClNO2/c1-3-7-14-10-12-16(13-11-14)22-17(19)18(21)20(2)15-8-5-4-6-9-15/h4-6,8-13,17H,3,7H2,1-2H3
InChIKeyBQAGOKDPELQDEZ-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.25
Rot. Bonds6

About 2-chloro-N-methyl-N-phenyl-2-(4-propylphenoxy)acetamide

2-chloro-N-methyl-N-phenyl-2-(4-propylphenoxy)acetamide (PubChem CID 67173755) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-phenyl-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-phenyl-2-(4-propylphenoxy)acetamide
PubChem CID67173755
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-chloro-N-methyl-N-phenyl-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OC(Cl)C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C18H20ClNO2/c1-3-7-14-10-12-16(13-11-14)22-17(19)18(21)20(2)15-8-5-4-6-9-15/h4-6,8-13,17H,3,7H2,1-2H3
InChIKeyBQAGOKDPELQDEZ-UHFFFAOYSA-N
XLogP4.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-phenyl-4-propylbenzamide
CID 47719630
methyl-(4-propylphenyl)carbamic acid
CID 115170704
(2R)-2-(4-propylphenoxy)propanoyl chloride
CID 86712374
(2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide
CID 40566840
(4-ethylphenyl) N-methyl-N-phenylcarbamate
CID 91395090
N-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide
CID 4814884
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
CID 157362668
2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid
CID 44589957
1-(2-aminopentyl)-3-methyl-3-phenyl-1-[4-(4-propylphenyl)phenyl]urea
CID 169109482
ethyl 2-(4-propylphenoxy)butanoate
CID 64662863
ethyl 2-chloro-3-[4-(1-phenylpropan-2-yloxy)phenyl]propanoate
CID 12615976
methyl 2-[methyl(phenyl)carbamoyl]-5-phenylpentanoate
CID 122388738

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-phenyl-2-(4-propylphenoxy)acetamide?
The IUPAC name of 2-chloro-N-methyl-N-phenyl-2-(4-propylphenoxy)acetamide (CID 67173755) is 2-chloro-N-methyl-N-phenyl-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-phenyl-2-(4-propylphenoxy)acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-phenyl-2-(4-propylphenoxy)acetamide is CCCc1ccc(OC(Cl)C(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 2-chloro-N-methyl-N-phenyl-2-(4-propylphenoxy)acetamide?
The InChIKey is BQAGOKDPELQDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-3-7-14-10-12-16(13-11-14)22-17(19)18(21)20(2)15-8-5-4-6-9-15/h4-6,8-13,17H,3,7H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-phenyl-2-(4-propylphenoxy)acetamide?
2-chloro-N-methyl-N-phenyl-2-(4-propylphenoxy)acetamide has a molecular weight of 317.82 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-phenyl-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 67173755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).