N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide

C22H22ClN3O3 — CID 154832638

IUPACN-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide
SMILESCc1cccc2c(CC(=O)Nc3ccc(C(=O)N4CCOCC4)c(Cl)c3)c[nH]c12
InChIInChI=1S/C22H22ClN3O3/c1-14-3-2-4-17-15(13-24-21(14)17)11-20(27)25-16-5-6-18(19(23)12-16)22(28)26-7-9-29-10-8-26/h2-6,12-13,24H,7-11H2,1H3,(H,25,27)
InChIKeyVHHCARXNCUFJED-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.78
Rot. Bonds4

About N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide

N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide (PubChem CID 154832638) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide
PubChem CID154832638
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC NameN-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide
SMILESCc1cccc2c(CC(=O)Nc3ccc(C(=O)N4CCOCC4)c(Cl)c3)c[nH]c12
InChIInChI=1S/C22H22ClN3O3/c1-14-3-2-4-17-15(13-24-21(14)17)11-20(27)25-16-5-6-18(19(23)12-16)22(28)26-7-9-29-10-8-26/h2-6,12-13,24H,7-11H2,1H3,(H,25,27)
InChIKeyVHHCARXNCUFJED-UHFFFAOYSA-N
XLogP3.78
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-aminooxan-4-yl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 167785543
2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 60538956
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
N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 47063347
N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943529
(7-chloro-1H-indol-3-yl)-morpholin-4-ylmethanone
CID 156772781
N-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-methylprop-2-enamide
CID 166406546
2-[4-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]oxan-4-yl]acetic acid
CID 119215017
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112998163
2-amino-N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]pentanamide;hydrochloride
CID 119283316
2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide
CID 60539207

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide (CID 154832638) is N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide is Cc1cccc2c(CC(=O)Nc3ccc(C(=O)N4CCOCC4)c(Cl)c3)c[nH]c12.
What is the InChIKey of N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide?
The InChIKey is VHHCARXNCUFJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-14-3-2-4-17-15(13-24-21(14)17)11-20(27)25-16-5-6-18(19(23)12-16)22(28)26-7-9-29-10-8-26/h2-6,12-13,24H,7-11H2,1H3,(H,25,27).
What are the key properties of N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide?
N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide has a molecular weight of 411.89 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 154832638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).