5-chloro-2-(methylamino)-N-morpholin-4-ylbenzamide

C12H16ClN3O2 — CID 83023895

IUPAC5-chloro-2-(methylamino)-N-morpholin-4-ylbenzamide
SMILESCNc1ccc(Cl)cc1C(=O)NN1CCOCC1
InChIInChI=1S/C12H16ClN3O2/c1-14-11-3-2-9(13)8-10(11)12(17)15-16-4-6-18-7-5-16/h2-3,8,14H,4-7H2,1H3,(H,15,17)
InChIKeyDSZQGPCJZUXBFM-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.36
Rot. Bonds3

About 5-chloro-2-(methylamino)-N-morpholin-4-ylbenzamide

5-chloro-2-(methylamino)-N-morpholin-4-ylbenzamide (PubChem CID 83023895) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-morpholin-4-ylbenzamide
PubChem CID83023895
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name5-chloro-2-(methylamino)-N-morpholin-4-ylbenzamide
SMILESCNc1ccc(Cl)cc1C(=O)NN1CCOCC1
InChIInChI=1S/C12H16ClN3O2/c1-14-11-3-2-9(13)8-10(11)12(17)15-16-4-6-18-7-5-16/h2-3,8,14H,4-7H2,1H3,(H,15,17)
InChIKeyDSZQGPCJZUXBFM-UHFFFAOYSA-N
XLogP1.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide
CID 55046977
N-[4-chloro-2-(morpholin-4-ylcarbamoyl)phenyl]naphthalene-1-carboxamide;5-chloro-2-(naphthalene-1-carbonylamino)benzoic acid
CID 159427073
4-chloro-N-morpholin-4-ylpyridine-3-carboxamide
CID 82841865
5-chloro-N-cyclopropyl-2-(methylamino)benzamide
CID 62171127
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963255
azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone
CID 62173337
5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide
CID 62173538
2-fluoro-N-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 80710497
2-(morpholin-4-ylcarbamoyl)benzoic acid
CID 83004357
5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide
CID 55047042
6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261356
5-chloro-N-(3,5-dimethylphenyl)-2-(methylamino)benzamide
CID 62165706

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-morpholin-4-ylbenzamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-morpholin-4-ylbenzamide (CID 83023895) is 5-chloro-2-(methylamino)-N-morpholin-4-ylbenzamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-morpholin-4-ylbenzamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-morpholin-4-ylbenzamide is CNc1ccc(Cl)cc1C(=O)NN1CCOCC1.
What is the InChIKey of 5-chloro-2-(methylamino)-N-morpholin-4-ylbenzamide?
The InChIKey is DSZQGPCJZUXBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-14-11-3-2-9(13)8-10(11)12(17)15-16-4-6-18-7-5-16/h2-3,8,14H,4-7H2,1H3,(H,15,17).
What are the key properties of 5-chloro-2-(methylamino)-N-morpholin-4-ylbenzamide?
5-chloro-2-(methylamino)-N-morpholin-4-ylbenzamide has a molecular weight of 269.73 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-morpholin-4-ylbenzamide is sourced from PubChem (CID 83023895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).