N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide

C17H18ClNO2 — CID 8623654

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-12(14-7-9-16(18)10-8-14)19-17(20)15-5-3-13(4-6-15)11-21-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyUWNPYPFISXYTSX-LBPRGKRZSA-N
MW303.79 g/mol
LogP3.98
Rot. Bonds5

About N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide (PubChem CID 8623654) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide
PubChem CID8623654
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-12(14-7-9-16(18)10-8-14)19-17(20)15-5-3-13(4-6-15)11-21-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyUWNPYPFISXYTSX-LBPRGKRZSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 17435884
4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26957780
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide
CID 133179095
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7948805
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 8751478
4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide
CID 78775923
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9218502
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9218496
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8620540
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide (CID 8623654) is N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide?
The InChIKey is UWNPYPFISXYTSX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12(14-7-9-16(18)10-8-14)19-17(20)15-5-3-13(4-6-15)11-21-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide has a molecular weight of 303.79 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 8623654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).