N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide

C19H21Cl2NO2 — CID 55772482

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C19H21Cl2NO2/c1-22(13-15-12-17(21)10-11-18(15)24-2)19(23)5-3-4-14-6-8-16(20)9-7-14/h6-12H,3-5,13H2,1-2H3
InChIKeyTWLIIYUXCCNBLP-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.98
Rot. Bonds7

About N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide

N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide (PubChem CID 55772482) has the molecular formula C19H21Cl2NO2 and a molecular weight of 366.29 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide
PubChem CID55772482
Molecular FormulaC19H21Cl2NO2
Molecular Weight366.29 g/mol
Exact Mass365.09
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C19H21Cl2NO2/c1-22(13-15-12-17(21)10-11-18(15)24-2)19(23)5-3-4-14-6-8-16(20)9-7-14/h6-12H,3-5,13H2,1-2H3
InChIKeyTWLIIYUXCCNBLP-UHFFFAOYSA-N
XLogP4.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide
CID 55772389
4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide
CID 87000731
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 33164457
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 51606705
4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 115155352
3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 55772529
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 32761132
2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8529237
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 9183059
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9183650
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(4-chlorophenyl)-N,2-dimethylpropanamide
CID 55870773

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide (CID 55772482) is N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide is COc1ccc(Cl)cc1CN(C)C(=O)CCCc1ccc(Cl)cc1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide?
The InChIKey is TWLIIYUXCCNBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO2/c1-22(13-15-12-17(21)10-11-18(15)24-2)19(23)5-3-4-14-6-8-16(20)9-7-14/h6-12H,3-5,13H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide has a molecular weight of 366.29 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide is sourced from PubChem (CID 55772482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).