2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide

C16H22ClN3O3 — CID 60539207

IUPAC2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ccc(C(=O)N2CCOCC2)c(Cl)c1
InChIInChI=1S/C16H22ClN3O3/c1-2-5-18-15(21)11-19-12-3-4-13(14(17)10-12)16(22)20-6-8-23-9-7-20/h3-4,10,19H,2,5-9,11H2,1H3,(H,18,21)
InChIKeyRIGAXZHBOLWKGB-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.75
Rot. Bonds6

About 2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide

2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide (PubChem CID 60539207) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide
PubChem CID60539207
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ccc(C(=O)N2CCOCC2)c(Cl)c1
InChIInChI=1S/C16H22ClN3O3/c1-2-5-18-15(21)11-19-12-3-4-13(14(17)10-12)16(22)20-6-8-23-9-7-20/h3-4,10,19H,2,5-9,11H2,1H3,(H,18,21)
InChIKeyRIGAXZHBOLWKGB-UHFFFAOYSA-N
XLogP1.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 60538956
2-[2-(morpholine-4-carbonyl)anilino]-N-propylacetamide
CID 86930964
N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-4-(methylamino)butanamide
CID 119712417
[2-chloro-4-[(3-methylphenyl)methylamino]phenyl]-morpholin-4-ylmethanone
CID 60538980
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 60539228
2-amino-N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]pentanamide;hydrochloride
CID 119283316
2-(3-chloro-4-cyanoanilino)-N-propylacetamide
CID 43346078
4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54831969
2-(3-chloro-4-ethoxyanilino)-N-propylacetamide
CID 87029646
2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide
CID 131911219
3-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one
CID 60539187
N-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-methylprop-2-enamide
CID 166406546

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide?
The IUPAC name of 2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide (CID 60539207) is 2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide.
What is the SMILES notation for 2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide?
The canonical SMILES for 2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide is CCCNC(=O)CNc1ccc(C(=O)N2CCOCC2)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide?
The InChIKey is RIGAXZHBOLWKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-2-5-18-15(21)11-19-12-3-4-13(14(17)10-12)16(22)20-6-8-23-9-7-20/h3-4,10,19H,2,5-9,11H2,1H3,(H,18,21).
What are the key properties of 2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide?
2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide has a molecular weight of 339.82 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide is sourced from PubChem (CID 60539207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).