N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide

C20H24ClNO3 — CID 112790343

IUPACN-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccccc2Cl)ccc1OCC(C)C
InChIInChI=1S/C20H24ClNO3/c1-14(2)13-25-18-10-9-15(11-19(18)24-4)20(23)22(3)12-16-7-5-6-8-17(16)21/h5-11,14H,12-13H2,1-4H3
InChIKeyOKDXYIVXTNVDFV-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.66
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide

N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide (PubChem CID 112790343) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
PubChem CID112790343
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC NameN-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccccc2Cl)ccc1OCC(C)C
InChIInChI=1S/C20H24ClNO3/c1-14(2)13-25-18-10-9-15(11-19(18)24-4)20(23)22(3)12-16-7-5-6-8-17(16)21/h5-11,14H,12-13H2,1-4H3
InChIKeyOKDXYIVXTNVDFV-UHFFFAOYSA-N
XLogP4.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 112790335
N-[(2-chlorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 9437289
4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 7780134
2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 26731799
N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 17480746
3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 112790252
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221354
N-[(2-chloro-5-nitrophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 51268613
N-[(2-chloro-5-nitrophenyl)methyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 51268621
N-[(2-chlorophenyl)methyl]-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 25445999
3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 100750097

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide (CID 112790343) is N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide is COc1cc(C(=O)N(C)Cc2ccccc2Cl)ccc1OCC(C)C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide?
The InChIKey is OKDXYIVXTNVDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-14(2)13-25-18-10-9-15(11-19(18)24-4)20(23)22(3)12-16-7-5-6-8-17(16)21/h5-11,14H,12-13H2,1-4H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide?
N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide has a molecular weight of 361.87 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 112790343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).