4-chloro-3-(oxan-4-ylmethylamino)benzamide

C13H17ClN2O2 — CID 62386664

IUPAC4-chloro-3-(oxan-4-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(Cl)c(NCC2CCOCC2)c1
InChIInChI=1S/C13H17ClN2O2/c14-11-2-1-10(13(15)17)7-12(11)16-8-9-3-5-18-6-4-9/h1-2,7,9,16H,3-6,8H2,(H2,15,17)
InChIKeyBWNLUONPNFAILE-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.28
Rot. Bonds4

About 4-chloro-3-(oxan-4-ylmethylamino)benzamide

4-chloro-3-(oxan-4-ylmethylamino)benzamide (PubChem CID 62386664) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-chloro-3-(oxan-4-ylmethylamino)benzamide.

Molecular Properties

Compound Name4-chloro-3-(oxan-4-ylmethylamino)benzamide
PubChem CID62386664
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-chloro-3-(oxan-4-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(Cl)c(NCC2CCOCC2)c1
InChIInChI=1S/C13H17ClN2O2/c14-11-2-1-10(13(15)17)7-12(11)16-8-9-3-5-18-6-4-9/h1-2,7,9,16H,3-6,8H2,(H2,15,17)
InChIKeyBWNLUONPNFAILE-UHFFFAOYSA-N
XLogP2.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzamido-4-chloranyl-~{N}-oxidanyl-benzamide
CID 127047653
N-(2-chlorophenyl)-3-[(cyclopentylcarbonyl)amino]benzamide
CID 838110
1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 72703425
N-tert-butyl-1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 72703427
1-[3-(4-Chloro-benzoylamino)-benzyl]-piperidine-4-carboxylic acid cyclopentylamide
CID 72703638
1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-cyclobutylpiperidine-4-carboxamide
CID 129626127
1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N,N-diethylpiperidine-4-carboxamide
CID 129626129
4-chloro-3-[(methoxyacetyl)amino]-N-(2-phenylethyl)benzamide
CID 1228444
4-chloro-3-[(ethoxyacetyl)amino]-N-(2-phenylethyl)benzamide
CID 1732115
4-chloro-3-[(ethoxyacetyl)amino]-N-phenylbenzamide
CID 1732131
4-chloro-3-(pentanoylamino)-N-(2-phenylethyl)benzamide
CID 1735073
3-(benzylamino)-4-chloro-N-hydroxybenzamide
CID 137633389

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(oxan-4-ylmethylamino)benzamide?
The IUPAC name of 4-chloro-3-(oxan-4-ylmethylamino)benzamide (CID 62386664) is 4-chloro-3-(oxan-4-ylmethylamino)benzamide.
What is the SMILES notation for 4-chloro-3-(oxan-4-ylmethylamino)benzamide?
The canonical SMILES for 4-chloro-3-(oxan-4-ylmethylamino)benzamide is NC(=O)c1ccc(Cl)c(NCC2CCOCC2)c1.
What is the InChIKey of 4-chloro-3-(oxan-4-ylmethylamino)benzamide?
The InChIKey is BWNLUONPNFAILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-2-1-10(13(15)17)7-12(11)16-8-9-3-5-18-6-4-9/h1-2,7,9,16H,3-6,8H2,(H2,15,17).
What are the key properties of 4-chloro-3-(oxan-4-ylmethylamino)benzamide?
4-chloro-3-(oxan-4-ylmethylamino)benzamide has a molecular weight of 268.74 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(oxan-4-ylmethylamino)benzamide is sourced from PubChem (CID 62386664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).