3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide

C14H18ClNO3 — CID 103954122

IUPAC3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(CO)CCOCC2)cc1Cl
InChIInChI=1S/C14H18ClNO3/c1-10-2-3-11(8-12(10)15)13(18)16-14(9-17)4-6-19-7-5-14/h2-3,8,17H,4-7,9H2,1H3,(H,16,18)
InChIKeyTWXRAPJSLOQLKU-UHFFFAOYSA-N
MW283.75 g/mol
LogP1.92
Rot. Bonds3

About 3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide

3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide (PubChem CID 103954122) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
PubChem CID103954122
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(CO)CCOCC2)cc1Cl
InChIInChI=1S/C14H18ClNO3/c1-10-2-3-11(8-12(10)15)13(18)16-14(9-17)4-6-19-7-5-14/h2-3,8,17H,4-7,9H2,1H3,(H,16,18)
InChIKeyTWXRAPJSLOQLKU-UHFFFAOYSA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 79040021
N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide
CID 115764896
N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
CID 103954237
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878155
N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103954059
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
CID 106297385
3-chloro-N-[4-(chloromethyl)oxan-4-yl]-4-iodobenzamide
CID 106300373
(3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 107559961
N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide
CID 113358062
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039
2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 103954232

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide?
The IUPAC name of 3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide (CID 103954122) is 3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide?
The canonical SMILES for 3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2(CO)CCOCC2)cc1Cl.
What is the InChIKey of 3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide?
The InChIKey is TWXRAPJSLOQLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10-2-3-11(8-12(10)15)13(18)16-14(9-17)4-6-19-7-5-14/h2-3,8,17H,4-7,9H2,1H3,(H,16,18).
What are the key properties of 3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide?
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide has a molecular weight of 283.75 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide is sourced from PubChem (CID 103954122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).