N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-4-(methylamino)butanamide

C16H22ClN3O3 — CID 119712417

IUPACN-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1
InChIInChI=1S/C16H22ClN3O3/c1-18-6-2-3-15(21)19-12-4-5-13(14(17)11-12)16(22)20-7-9-23-10-8-20/h4-5,11,18H,2-3,6-10H2,1H3,(H,19,21)
InChIKeyGAHUHMRJPBXCEN-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.75
Rot. Bonds6

About N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-4-(methylamino)butanamide

N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-4-(methylamino)butanamide (PubChem CID 119712417) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-4-(methylamino)butanamide
PubChem CID119712417
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1
InChIInChI=1S/C16H22ClN3O3/c1-18-6-2-3-15(21)19-12-4-5-13(14(17)11-12)16(22)20-7-9-23-10-8-20/h4-5,11,18H,2-3,6-10H2,1H3,(H,19,21)
InChIKeyGAHUHMRJPBXCEN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-methylprop-2-enamide
CID 166406546
N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 47063347
2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 60538956
2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide
CID 60539207
2-amino-N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]pentanamide;hydrochloride
CID 119283316
N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456922
N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943529
2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide
CID 131911219
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide
CID 119677486
N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 154832638
trans-(1S,2S)-2-[[3-chloro-4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 27047469
4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119702385

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-4-(methylamino)butanamide?
The IUPAC name of N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-4-(methylamino)butanamide (CID 119712417) is N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-4-(methylamino)butanamide?
The InChIKey is GAHUHMRJPBXCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-18-6-2-3-15(21)19-12-4-5-13(14(17)11-12)16(22)20-7-9-23-10-8-20/h4-5,11,18H,2-3,6-10H2,1H3,(H,19,21).
What are the key properties of N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-4-(methylamino)butanamide?
N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-4-(methylamino)butanamide 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 N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119712417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).