1-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide

C18H19ClN2O2 — CID 38536765

IUPAC1-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCCOc1ncccc1CNC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H19ClN2O2/c1-2-23-16-13(4-3-11-20-16)12-21-17(22)18(9-10-18)14-5-7-15(19)8-6-14/h3-8,11H,2,9-10,12H2,1H3,(H,21,22)
InChIKeyWGSNSNALJKPWKD-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.48
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide (PubChem CID 38536765) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
PubChem CID38536765
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name1-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCCOc1ncccc1CNC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H19ClN2O2/c1-2-23-16-13(4-3-11-20-16)12-21-17(22)18(9-10-18)14-5-7-15(19)8-6-14/h3-8,11H,2,9-10,12H2,1H3,(H,21,22)
InChIKeyWGSNSNALJKPWKD-UHFFFAOYSA-N
XLogP3.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 37486545
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
CID 55761433
cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 38537729
N-[(2-ethoxy-3-pyridinyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111520352
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
CID 37488136
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
CID 47160556
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 37484665
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134006403
3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 38539806
1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 86925548
4-chloro-N-[1-[(2-ethoxy-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55585752
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea
CID 47159517

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide (CID 38536765) is 1-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide is CCOc1ncccc1CNC(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is WGSNSNALJKPWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-2-23-16-13(4-3-11-20-16)12-21-17(22)18(9-10-18)14-5-7-15(19)8-6-14/h3-8,11H,2,9-10,12H2,1H3,(H,21,22).
What are the key properties of 1-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 330.82 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 38536765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).