3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide

C22H27N3O2 — CID 110400455

IUPAC3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2cc(N3CCCC3)ccc2N2CCOCC2)c1
InChIInChI=1S/C22H27N3O2/c1-17-5-4-6-18(15-17)22(26)23-20-16-19(24-9-2-3-10-24)7-8-21(20)25-11-13-27-14-12-25/h4-8,15-16H,2-3,9-14H2,1H3,(H,23,26)
InChIKeyNCNQCJRPHZZQQU-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.68
Rot. Bonds4

About 3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide

3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 110400455) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
PubChem CID110400455
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2cc(N3CCCC3)ccc2N2CCOCC2)c1
InChIInChI=1S/C22H27N3O2/c1-17-5-4-6-18(15-17)22(26)23-20-16-19(24-9-2-3-10-24)7-8-21(20)25-11-13-27-14-12-25/h4-8,15-16H,2-3,9-14H2,1H3,(H,23,26)
InChIKeyNCNQCJRPHZZQQU-UHFFFAOYSA-N
XLogP3.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400397
N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 110400478
4-fluoro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400459
4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400402
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide
CID 91676207
N-(5-amino-2-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91675430
2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400474
N-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide
CID 41080718
2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400396
N-[3-(cyclopentylcarbamoylamino)-4-morpholin-4-ylphenyl]-3-methylbenzamide
CID 46326563
N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide
CID 4824008
3-(dimethylamino)-N-(2,4-dimorpholin-4-ylphenyl)benzamide
CID 26072175

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide (CID 110400455) is 3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide is Cc1cccc(C(=O)Nc2cc(N3CCCC3)ccc2N2CCOCC2)c1.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is NCNQCJRPHZZQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-5-4-6-18(15-17)22(26)23-20-16-19(24-9-2-3-10-24)7-8-21(20)25-11-13-27-14-12-25/h4-8,15-16H,2-3,9-14H2,1H3,(H,23,26).
What are the key properties of 3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide?
3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 365.48 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 110400455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).