3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide

C21H25BrN2O3 — CID 90595367

IUPAC3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(N3CCC(OC)C3)cc2)cc1Br
InChIInChI=1S/C21H25BrN2O3/c1-26-18-11-12-24(14-18)17-7-5-16(6-8-17)23-21(25)10-4-15-3-9-20(27-2)19(22)13-15/h3,5-9,13,18H,4,10-12,14H2,1-2H3,(H,23,25)
InChIKeyDECJALQIHIVAIL-UHFFFAOYSA-N
MW433.35 g/mol
LogP4.25
Rot. Bonds7

About 3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide

3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide (PubChem CID 90595367) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
PubChem CID90595367
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC Name3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(N3CCC(OC)C3)cc2)cc1Br
InChIInChI=1S/C21H25BrN2O3/c1-26-18-11-12-24(14-18)17-7-5-16(6-8-17)23-21(25)10-4-15-3-9-20(27-2)19(22)13-15/h3,5-9,13,18H,4,10-12,14H2,1-2H3,(H,23,25)
InChIKeyDECJALQIHIVAIL-UHFFFAOYSA-N
XLogP4.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.25
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-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
CID 71809576
3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
CID 121141552
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide
CID 97427535
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 90595766
3-(4-chloro-3-fluorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]propanamide
CID 90595771
3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide
CID 97427806
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide
CID 71809774
3-(4-cyanophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
CID 71809777
N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-3-(3-methylthiophen-2-yl)propanamide
CID 97427618
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide
CID 121141566
2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 90595303
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-phenylmethoxyphenyl)propanamide
CID 121141530

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide (CID 90595367) is 3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide is COc1ccc(CCC(=O)Nc2ccc(N3CCC(OC)C3)cc2)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is DECJALQIHIVAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-26-18-11-12-24(14-18)17-7-5-16(6-8-17)23-21(25)10-4-15-3-9-20(27-2)19(22)13-15/h3,5-9,13,18H,4,10-12,14H2,1-2H3,(H,23,25).
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide?
3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 433.35 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 90595367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).