1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide

C17H18ClN3O2 — CID 122301531

IUPAC1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide
SMILESCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cn1
InChIInChI=1S/C17H18ClN3O2/c1-23-16-19-10-14(11-20-16)21-15(22)17(8-2-3-9-17)12-4-6-13(18)7-5-12/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)
InChIKeyLFRDDXQGKBACKI-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.59
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide (PubChem CID 122301531) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide
PubChem CID122301531
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide
SMILESCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cn1
InChIInChI=1S/C17H18ClN3O2/c1-23-16-19-10-14(11-20-16)21-15(22)17(8-2-3-9-17)12-4-6-13(18)7-5-12/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)
InChIKeyLFRDDXQGKBACKI-UHFFFAOYSA-N
XLogP3.59
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide
CID 122301497
1-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771355
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
3-chloro-N-[5-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-methoxy-2-pyridinyl]benzamide
CID 172841186
1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide
CID 100781335
2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100665395
4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide
CID 71937459
1-(4-chlorophenyl)-N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771359
2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 91968336
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
CID 55415843
1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 100782418
N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide
CID 100662222

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide (CID 122301531) is 1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide is COc1ncc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cn1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide?
The InChIKey is LFRDDXQGKBACKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-23-16-19-10-14(11-20-16)21-15(22)17(8-2-3-9-17)12-4-6-13(18)7-5-12/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22).
What are the key properties of 1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 122301531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).