N-[(2R,3S)-2-[4-chloro-3-(2-methoxyethoxy)phenyl]pentan-3-yl]formamide

C15H22ClNO3 — CID 125472970

IUPACN-[(2R,3S)-2-[4-chloro-3-(2-methoxyethoxy)phenyl]pentan-3-yl]formamide
SMILESCC[C@H](NC=O)[C@H](C)c1ccc(Cl)c(OCCOC)c1
InChIInChI=1S/C15H22ClNO3/c1-4-14(17-10-18)11(2)12-5-6-13(16)15(9-12)20-8-7-19-3/h5-6,9-11,14H,4,7-8H2,1-3H3,(H,17,18)/t11-,14+/m1/s1
InChIKeyWZVLPRIYNLRZSE-RISCZKNCSA-N
MW299.80 g/mol
LogP2.99
Rot. Bonds9

About N-[(2R,3S)-2-[4-chloro-3-(2-methoxyethoxy)phenyl]pentan-3-yl]formamide

N-[(2R,3S)-2-[4-chloro-3-(2-methoxyethoxy)phenyl]pentan-3-yl]formamide (PubChem CID 125472970) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[(2R,3S)-2-[4-chloro-3-(2-methoxyethoxy)phenyl]pentan-3-yl]formamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-[4-chloro-3-(2-methoxyethoxy)phenyl]pentan-3-yl]formamide
PubChem CID125472970
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC NameN-[(2R,3S)-2-[4-chloro-3-(2-methoxyethoxy)phenyl]pentan-3-yl]formamide
SMILESCC[C@H](NC=O)[C@H](C)c1ccc(Cl)c(OCCOC)c1
InChIInChI=1S/C15H22ClNO3/c1-4-14(17-10-18)11(2)12-5-6-13(16)15(9-12)20-8-7-19-3/h5-6,9-11,14H,4,7-8H2,1-3H3,(H,17,18)/t11-,14+/m1/s1
InChIKeyWZVLPRIYNLRZSE-RISCZKNCSA-N
XLogP2.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-[4-chloro-3-(2-methoxyethoxy)phenyl]pentan-3-yl]formamide?
The IUPAC name of N-[(2R,3S)-2-[4-chloro-3-(2-methoxyethoxy)phenyl]pentan-3-yl]formamide (CID 125472970) is N-[(2R,3S)-2-[4-chloro-3-(2-methoxyethoxy)phenyl]pentan-3-yl]formamide.
What is the SMILES notation for N-[(2R,3S)-2-[4-chloro-3-(2-methoxyethoxy)phenyl]pentan-3-yl]formamide?
The canonical SMILES for N-[(2R,3S)-2-[4-chloro-3-(2-methoxyethoxy)phenyl]pentan-3-yl]formamide is CC[C@H](NC=O)[C@H](C)c1ccc(Cl)c(OCCOC)c1.
What is the InChIKey of N-[(2R,3S)-2-[4-chloro-3-(2-methoxyethoxy)phenyl]pentan-3-yl]formamide?
The InChIKey is WZVLPRIYNLRZSE-RISCZKNCSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-4-14(17-10-18)11(2)12-5-6-13(16)15(9-12)20-8-7-19-3/h5-6,9-11,14H,4,7-8H2,1-3H3,(H,17,18)/t11-,14+/m1/s1.
What are the key properties of N-[(2R,3S)-2-[4-chloro-3-(2-methoxyethoxy)phenyl]pentan-3-yl]formamide?
N-[(2R,3S)-2-[4-chloro-3-(2-methoxyethoxy)phenyl]pentan-3-yl]formamide has a molecular weight of 299.80 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-[4-chloro-3-(2-methoxyethoxy)phenyl]pentan-3-yl]formamide is sourced from PubChem (CID 125472970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).