2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide

C21H22ClN3O4 — CID 131911219

IUPAC2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1Cl
InChIInChI=1S/C21H22ClN3O4/c1-2-23-20(27)17-8-7-16(13-18(17)22)24-19(26)14-3-5-15(6-4-14)21(28)25-9-11-29-12-10-25/h3-8,13H,2,9-12H2,1H3,(H,23,27)(H,24,26)
InChIKeyHGUUPVVGLAHMOB-UHFFFAOYSA-N
MW415.88 g/mol
LogP2.81
Rot. Bonds5

About 2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide

2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide (PubChem CID 131911219) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide
PubChem CID131911219
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC Name2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1Cl
InChIInChI=1S/C21H22ClN3O4/c1-2-23-20(27)17-8-7-16(13-18(17)22)24-19(26)14-3-5-15(6-4-14)21(28)25-9-11-29-12-10-25/h3-8,13H,2,9-12H2,1H3,(H,23,27)(H,24,26)
InChIKeyHGUUPVVGLAHMOB-UHFFFAOYSA-N
XLogP2.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839441
N-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide
CID 131951604
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 78892234
N-(3-acetamidophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045524
5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17172946
N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 47063347
N-(3,4-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044373
N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-4-(methylamino)butanamide
CID 119712417
N-(2,5-dichlorophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045546
2-amino-N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]pentanamide;hydrochloride
CID 119283316
4-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205497
2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide
CID 60539207

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide?
The IUPAC name of 2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide (CID 131911219) is 2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide is CCNC(=O)c1ccc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide?
The InChIKey is HGUUPVVGLAHMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-2-23-20(27)17-8-7-16(13-18(17)22)24-19(26)14-3-5-15(6-4-14)21(28)25-9-11-29-12-10-25/h3-8,13H,2,9-12H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide?
2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide has a molecular weight of 415.88 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide is sourced from PubChem (CID 131911219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).