N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide

C20H22ClNO2 — CID 27449030

IUPACN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C20H22ClNO2/c1-15-4-2-3-5-18(15)19(23)22-14-20(10-12-24-13-11-20)16-6-8-17(21)9-7-16/h2-9H,10-14H2,1H3,(H,22,23)
InChIKeyVEHGGGXOEDWRHE-UHFFFAOYSA-N
MW343.85 g/mol
LogP4.13
Rot. Bonds4

About N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide

N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide (PubChem CID 27449030) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
PubChem CID27449030
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC NameN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C20H22ClNO2/c1-15-4-2-3-5-18(15)19(23)22-14-20(10-12-24-13-11-20)16-6-8-17(21)9-7-16/h2-9H,10-14H2,1H3,(H,22,23)
InChIKeyVEHGGGXOEDWRHE-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,3-dimethoxybenzamide
CID 27449051
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808
2,4-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1082222
5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide
CID 27449067
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
CID 42265696
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-methylbenzimidazole-4-carboxamide
CID 138999106
5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 120623335
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1340930
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide
CID 119749418
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide
CID 71869222

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide (CID 27449030) is N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1.
What is the InChIKey of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide?
The InChIKey is VEHGGGXOEDWRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-15-4-2-3-5-18(15)19(23)22-14-20(10-12-24-13-11-20)16-6-8-17(21)9-7-16/h2-9H,10-14H2,1H3,(H,22,23).
What are the key properties of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide?
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide has a molecular weight of 343.85 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide is sourced from PubChem (CID 27449030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).