5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide

C21H25FN4O2 — CID 4579577

IUPAC5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)Nc2cccc(F)c2)ccc1N1CCCC1
InChIInChI=1S/C21H25FN4O2/c1-2-10-23-20(27)18-14-17(8-9-19(18)26-11-3-4-12-26)25-21(28)24-16-7-5-6-15(22)13-16/h5-9,13-14H,2-4,10-12H2,1H3,(H,23,27)(H2,24,25,28)
InChIKeyVLVNLBYTOQKXNL-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.21
Rot. Bonds6

About 5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide

5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide (PubChem CID 4579577) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide
PubChem CID4579577
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)Nc2cccc(F)c2)ccc1N1CCCC1
InChIInChI=1S/C21H25FN4O2/c1-2-10-23-20(27)18-14-17(8-9-19(18)26-11-3-4-12-26)25-21(28)24-16-7-5-6-15(22)13-16/h5-9,13-14H,2-4,10-12H2,1H3,(H,23,27)(H2,24,25,28)
InChIKeyVLVNLBYTOQKXNL-UHFFFAOYSA-N
XLogP4.21
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065117
N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066998
5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide
CID 4002213
ethyl 4-[[3-(propylcarbamoyl)-4-pyrrolidin-1-ylphenyl]carbamoylamino]benzoate
CID 4285590
5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide
CID 42755610
N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 3320138
5-[(3-ethylphenyl)carbamoylamino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
CID 1067045
N-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42757303
5-(octanoylamino)-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755821
5-[(2-chloro-2-phenylacetyl)amino]-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755847
5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42661949
5-(ethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 1065616

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide (CID 4579577) is 5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide is CCCNC(=O)c1cc(NC(=O)Nc2cccc(F)c2)ccc1N1CCCC1.
What is the InChIKey of 5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is VLVNLBYTOQKXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-2-10-23-20(27)18-14-17(8-9-19(18)26-11-3-4-12-26)25-21(28)24-16-7-5-6-15(22)13-16/h5-9,13-14H,2-4,10-12H2,1H3,(H,23,27)(H2,24,25,28).
What are the key properties of 5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide?
5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 384.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 4579577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).