N-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide

C16H17ClN2O2 — CID 86860335

IUPACN-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(C)c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-19(12-6-4-3-5-7-12)11-16(20)18-15-9-8-13(21-2)10-14(15)17/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeySMARQDZELGMVKQ-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.42
Rot. Bonds5

About N-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide

N-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide (PubChem CID 86860335) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide
PubChem CID86860335
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(C)c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-19(12-6-4-3-5-7-12)11-16(20)18-15-9-8-13(21-2)10-14(15)17/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeySMARQDZELGMVKQ-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
N-(4-amino-2-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 16779548
N-(2,5-dichlorophenyl)-2-(N-methylanilino)acetamide
CID 2685123
N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110777932
N-(2-chloro-4-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 110777937
N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide
CID 55353426
1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide
CID 86858023
(2-chloro-4-methoxyphenyl)carbamothioic S-acid
CID 115169707
N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 86857978
2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 28894649
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide (CID 86860335) is N-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide is COc1ccc(NC(=O)CN(C)c2ccccc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide?
The InChIKey is SMARQDZELGMVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-19(12-6-4-3-5-7-12)11-16(20)18-15-9-8-13(21-2)10-14(15)17/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of N-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide?
N-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide has a molecular weight of 304.78 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide is sourced from PubChem (CID 86860335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).