N-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]cyclopentanecarboxamide

C20H21Cl2NO2 — CID 7941987

IUPACN-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]cyclopentanecarboxamide
SMILESCc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1NC(=O)C1CCCC1
InChIInChI=1S/C20H21Cl2NO2/c1-12-9-16(22)10-13(2)19(12)25-18-8-7-15(21)11-17(18)23-20(24)14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,23,24)
InChIKeyWOSSAUPRLPIBMV-UHFFFAOYSA-N
MW378.30 g/mol
LogP6.53
Rot. Bonds4

About N-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]cyclopentanecarboxamide

N-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]cyclopentanecarboxamide (PubChem CID 7941987) has the molecular formula C20H21Cl2NO2 and a molecular weight of 378.30 g/mol. Its IUPAC name is N-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]cyclopentanecarboxamide
PubChem CID7941987
Molecular FormulaC20H21Cl2NO2
Molecular Weight378.30 g/mol
Exact Mass377.09
IUPAC NameN-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]cyclopentanecarboxamide
SMILESCc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1NC(=O)C1CCCC1
InChIInChI=1S/C20H21Cl2NO2/c1-12-9-16(22)10-13(2)19(12)25-18-8-7-15(21)11-17(18)23-20(24)14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,23,24)
InChIKeyWOSSAUPRLPIBMV-UHFFFAOYSA-N
XLogP6.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.30
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide
CID 81272636
N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide
CID 107640629
N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide
CID 81272184
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
N-(5-chloro-2-ethoxyphenyl)piperidine-4-carboxamide
CID 54862625
(4-chloro-2-methylphenyl) cyclobutanecarboxylate
CID 78768517
N-(2,4-dimethoxy-3-methylphenyl)cyclopentanecarboxamide
CID 110777847
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998029
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide
CID 38764224
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]cyclopentanecarboxamide (CID 7941987) is N-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]cyclopentanecarboxamide is Cc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1NC(=O)C1CCCC1.
What is the InChIKey of N-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]cyclopentanecarboxamide?
The InChIKey is WOSSAUPRLPIBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO2/c1-12-9-16(22)10-13(2)19(12)25-18-8-7-15(21)11-17(18)23-20(24)14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,23,24).
What are the key properties of N-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]cyclopentanecarboxamide?
N-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]cyclopentanecarboxamide has a molecular weight of 378.30 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 7941987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).