N-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide

C23H29FN4O2 — CID 42757303

IUPACN-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)CCCNC(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1N1CCCC1
InChIInChI=1S/C23H29FN4O2/c1-27(2)12-6-11-25-23(30)20-16-19(9-10-21(20)28-13-3-4-14-28)26-22(29)17-7-5-8-18(24)15-17/h5,7-10,15-16H,3-4,6,11-14H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyNHFOBGQRKQPRGG-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.36
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide

N-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide (PubChem CID 42757303) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
PubChem CID42757303
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC NameN-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)CCCNC(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1N1CCCC1
InChIInChI=1S/C23H29FN4O2/c1-27(2)12-6-11-25-23(30)20-16-19(9-10-21(20)28-13-3-4-14-28)26-22(29)17-7-5-8-18(24)15-17/h5,7-10,15-16H,3-4,6,11-14H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyNHFOBGQRKQPRGG-UHFFFAOYSA-N
XLogP3.36
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 42757059
5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-pyrrolidin-1-ylbenzamide
CID 42757301
5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 42757061
N-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
CID 42757063
5-[(4-butoxybenzoyl)amino]-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 3612260
N-[3-(dimethylamino)propyl]-5-[(3-methoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3946307
5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 42757060
3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1055003
N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide
CID 42848136
5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 4579577
1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
CID 109053436
N-(2-methoxyethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 42755996

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide (CID 42757303) is N-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide is CN(C)CCCNC(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1N1CCCC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is NHFOBGQRKQPRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O2/c1-27(2)12-6-11-25-23(30)20-16-19(9-10-21(20)28-13-3-4-14-28)26-22(29)17-7-5-8-18(24)15-17/h5,7-10,15-16H,3-4,6,11-14H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of N-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide?
N-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 412.51 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 42757303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).