3,5-dichloro-4-methyl-N-[[(6R)-1,4-oxazepan-6-yl]methyl]benzamide

C14H18Cl2N2O2 — CID 97193785

IUPAC3,5-dichloro-4-methyl-N-[[(6R)-1,4-oxazepan-6-yl]methyl]benzamide
SMILESCc1c(Cl)cc(C(=O)NC[C@H]2CNCCOC2)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-9-12(15)4-11(5-13(9)16)14(19)18-7-10-6-17-2-3-20-8-10/h4-5,10,17H,2-3,6-8H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyKVIMAAFYODOJMM-SNVBAGLBSA-N
MW317.22 g/mol
LogP2.27
Rot. Bonds3

About 3,5-dichloro-4-methyl-N-[[(6R)-1,4-oxazepan-6-yl]methyl]benzamide

3,5-dichloro-4-methyl-N-[[(6R)-1,4-oxazepan-6-yl]methyl]benzamide (PubChem CID 97193785) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 3,5-dichloro-4-methyl-N-[[(6R)-1,4-oxazepan-6-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methyl-N-[[(6R)-1,4-oxazepan-6-yl]methyl]benzamide
PubChem CID97193785
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name3,5-dichloro-4-methyl-N-[[(6R)-1,4-oxazepan-6-yl]methyl]benzamide
SMILESCc1c(Cl)cc(C(=O)NC[C@H]2CNCCOC2)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-9-12(15)4-11(5-13(9)16)14(19)18-7-10-6-17-2-3-20-8-10/h4-5,10,17H,2-3,6-8H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyKVIMAAFYODOJMM-SNVBAGLBSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dimethyl-N-(1,4-oxazepan-6-ylmethyl)-1-benzofuran-2-carboxamide
CID 70718090
1-(2-chlorophenyl)-3-(1,4-oxazepan-6-ylmethyl)urea
CID 56885160
1-[(2-methylphenyl)methyl]-3-(1,4-oxazepan-6-ylmethyl)urea
CID 56917216
1-[(2-methylphenyl)methyl]-3-[[(6R)-1,4-oxazepan-6-yl]methyl]urea
CID 95729791
3-chloro-4-methyl-N-[[(6S)-1,4-oxazepan-6-yl]methyl]benzenesulfonamide
CID 95712702
3-chloro-4-methyl-N-(1,4-oxazepan-6-ylmethyl)benzenesulfonamide;hydrochloride
CID 154886414
3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271818
3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103892243
benzyl N-(1,4-oxazepan-6-ylmethyl)carbamate
CID 130114802
1-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 95721192
1-[[(6S)-1,4-oxazepan-6-yl]methyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 95721190
3,5-dimethyl-N-(1,4-oxazepan-6-ylmethyl)benzenesulfonamide
CID 56915452

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methyl-N-[[(6R)-1,4-oxazepan-6-yl]methyl]benzamide?
The IUPAC name of 3,5-dichloro-4-methyl-N-[[(6R)-1,4-oxazepan-6-yl]methyl]benzamide (CID 97193785) is 3,5-dichloro-4-methyl-N-[[(6R)-1,4-oxazepan-6-yl]methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-methyl-N-[[(6R)-1,4-oxazepan-6-yl]methyl]benzamide?
The canonical SMILES for 3,5-dichloro-4-methyl-N-[[(6R)-1,4-oxazepan-6-yl]methyl]benzamide is Cc1c(Cl)cc(C(=O)NC[C@H]2CNCCOC2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methyl-N-[[(6R)-1,4-oxazepan-6-yl]methyl]benzamide?
The InChIKey is KVIMAAFYODOJMM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-9-12(15)4-11(5-13(9)16)14(19)18-7-10-6-17-2-3-20-8-10/h4-5,10,17H,2-3,6-8H2,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of 3,5-dichloro-4-methyl-N-[[(6R)-1,4-oxazepan-6-yl]methyl]benzamide?
3,5-dichloro-4-methyl-N-[[(6R)-1,4-oxazepan-6-yl]methyl]benzamide has a molecular weight of 317.22 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methyl-N-[[(6R)-1,4-oxazepan-6-yl]methyl]benzamide is sourced from PubChem (CID 97193785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).