4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide

C14H18ClNO2 — CID 43533877

IUPAC4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(CCl)cc1)C1CCCO1
InChIInChI=1S/C14H18ClNO2/c1-10(13-3-2-8-18-13)16-14(17)12-6-4-11(9-15)5-7-12/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyYKWLLNOMAUWRRV-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.72
Rot. Bonds4

About 4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide

4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide (PubChem CID 43533877) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
PubChem CID43533877
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(CCl)cc1)C1CCCO1
InChIInChI=1S/C14H18ClNO2/c1-10(13-3-2-8-18-13)16-14(17)12-6-4-11(9-15)5-7-12/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyYKWLLNOMAUWRRV-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35251102
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide
CID 35273707
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
3-chloro-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103735000
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 35240794
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2H-benzotriazole-5-carboxamide
CID 35246882
4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide
CID 55609498
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 35235171

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide?
The IUPAC name of 4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide (CID 43533877) is 4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide is CC(NC(=O)c1ccc(CCl)cc1)C1CCCO1.
What is the InChIKey of 4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide?
The InChIKey is YKWLLNOMAUWRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10(13-3-2-8-18-13)16-14(17)12-6-4-11(9-15)5-7-12/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of 4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide?
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide has a molecular weight of 267.76 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 43533877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).