N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide

C13H15Cl2NO2 — CID 110782988

IUPACN-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide
SMILESCOc1c(Cl)cc(Cl)cc1CNC(=O)C1CCC1
InChIInChI=1S/C13H15Cl2NO2/c1-18-12-9(5-10(14)6-11(12)15)7-16-13(17)8-3-2-4-8/h5-6,8H,2-4,7H2,1H3,(H,16,17)
InChIKeyKBVNSXICMHNUEQ-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.42
Rot. Bonds4

About N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide

N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide (PubChem CID 110782988) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide
PubChem CID110782988
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC NameN-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide
SMILESCOc1c(Cl)cc(Cl)cc1CNC(=O)C1CCC1
InChIInChI=1S/C13H15Cl2NO2/c1-18-12-9(5-10(14)6-11(12)15)7-16-13(17)8-3-2-4-8/h5-6,8H,2-4,7H2,1H3,(H,16,17)
InChIKeyKBVNSXICMHNUEQ-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate
CID 110782986
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
CID 82500447
N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193602
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide
CID 110781882
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]oxolane-2-carboxamide
CID 110782930
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide
CID 95945674
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
N-[(4,5-dichloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 158921013
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide
CID 110782924
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
2-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977003

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide (CID 110782988) is N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide is COc1c(Cl)cc(Cl)cc1CNC(=O)C1CCC1.
What is the InChIKey of N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide?
The InChIKey is KBVNSXICMHNUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-18-12-9(5-10(14)6-11(12)15)7-16-13(17)8-3-2-4-8/h5-6,8H,2-4,7H2,1H3,(H,16,17).
What are the key properties of N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide?
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide has a molecular weight of 288.17 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 110782988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).