3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide

C17H24ClNO2 — CID 110631434

IUPAC3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCC1(CO)CCCCC1
InChIInChI=1S/C17H24ClNO2/c18-15-6-4-5-14(11-15)7-8-16(21)19-12-17(13-20)9-2-1-3-10-17/h4-6,11,20H,1-3,7-10,12-13H2,(H,19,21)
InChIKeySBHAKOKSNSNPQT-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.33
Rot. Bonds6

About 3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide

3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide (PubChem CID 110631434) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
PubChem CID110631434
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCC1(CO)CCCCC1
InChIInChI=1S/C17H24ClNO2/c18-15-6-4-5-14(11-15)7-8-16(21)19-12-17(13-20)9-2-1-3-10-17/h4-6,11,20H,1-3,7-10,12-13H2,(H,19,21)
InChIKeySBHAKOKSNSNPQT-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide
CID 115362508
2-[(3-chlorophenyl)methylsulfanyl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362449
3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80717586
2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362360
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631435
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
CID 115362564
[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293650
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 91954466
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
2-[1-[[3-(3-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 115341623

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide (CID 110631434) is 3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide is O=C(CCc1cccc(Cl)c1)NCC1(CO)CCCCC1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide?
The InChIKey is SBHAKOKSNSNPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c18-15-6-4-5-14(11-15)7-8-16(21)19-12-17(13-20)9-2-1-3-10-17/h4-6,11,20H,1-3,7-10,12-13H2,(H,19,21).
What are the key properties of 3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide?
3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide has a molecular weight of 309.84 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 110631434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).