N-(2-aminophenyl)-4-[3-(dimethylamino)-1-[(4-fluorophenyl)carbamoylamino]propyl]benzamide

C25H28FN5O2 — CID 68808140

IUPACN-(2-aminophenyl)-4-[3-(dimethylamino)-1-[(4-fluorophenyl)carbamoylamino]propyl]benzamide
SMILESCN(C)CCC(NC(=O)Nc1ccc(F)cc1)c1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C25H28FN5O2/c1-31(2)16-15-22(30-25(33)28-20-13-11-19(26)12-14-20)17-7-9-18(10-8-17)24(32)29-23-6-4-3-5-21(23)27/h3-14,22H,15-16,27H2,1-2H3,(H,29,32)(H2,28,30,33)
InChIKeySFAKKCIYHMPQAZ-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.47
Rot. Bonds8

About N-(2-aminophenyl)-4-[3-(dimethylamino)-1-[(4-fluorophenyl)carbamoylamino]propyl]benzamide

N-(2-aminophenyl)-4-[3-(dimethylamino)-1-[(4-fluorophenyl)carbamoylamino]propyl]benzamide (PubChem CID 68808140) has the molecular formula C25H28FN5O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[3-(dimethylamino)-1-[(4-fluorophenyl)carbamoylamino]propyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[3-(dimethylamino)-1-[(4-fluorophenyl)carbamoylamino]propyl]benzamide
PubChem CID68808140
Molecular FormulaC25H28FN5O2
Molecular Weight449.53 g/mol
Exact Mass449.22
IUPAC NameN-(2-aminophenyl)-4-[3-(dimethylamino)-1-[(4-fluorophenyl)carbamoylamino]propyl]benzamide
SMILESCN(C)CCC(NC(=O)Nc1ccc(F)cc1)c1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C25H28FN5O2/c1-31(2)16-15-22(30-25(33)28-20-13-11-19(26)12-14-20)17-7-9-18(10-8-17)24(32)29-23-6-4-3-5-21(23)27/h3-14,22H,15-16,27H2,1-2H3,(H,29,32)(H2,28,30,33)
InChIKeySFAKKCIYHMPQAZ-UHFFFAOYSA-N
XLogP4.47
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-[4-(dimethylamino)-1-[(4-methylphenyl)carbamoylamino]butyl]benzamide
CID 67423457
tert-butyl N-[2-[[4-[4-(dimethylamino)-1-[(4-fluorophenyl)carbamoylamino]-3,3-dimethylbutyl]benzoyl]amino]phenyl]carbamate
CID 68808014
N-(2-aminophenyl)-4-[1-[(3-fluorophenyl)carbamoylamino]-4-(4-methylpiperidin-1-yl)butyl]benzamide
CID 69026373
N-(2-aminophenyl)-4-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)-3,3-dimethylbutyl]benzamide
CID 67423580
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethylbenzamide
CID 110281892
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide
CID 110281864
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide
CID 110281894
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-nitrobenzamide
CID 110281831
N-(2-aminophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)butyl]pyridine-2-carboxamide
CID 68965213
N-(2-aminophenyl)-4-[3-hydroxy-1-(2-phenylethylcarbamoylamino)propyl]benzamide
CID 67421828
(3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide
CID 94782805

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[3-(dimethylamino)-1-[(4-fluorophenyl)carbamoylamino]propyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[3-(dimethylamino)-1-[(4-fluorophenyl)carbamoylamino]propyl]benzamide (CID 68808140) is N-(2-aminophenyl)-4-[3-(dimethylamino)-1-[(4-fluorophenyl)carbamoylamino]propyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[3-(dimethylamino)-1-[(4-fluorophenyl)carbamoylamino]propyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[3-(dimethylamino)-1-[(4-fluorophenyl)carbamoylamino]propyl]benzamide is CN(C)CCC(NC(=O)Nc1ccc(F)cc1)c1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[3-(dimethylamino)-1-[(4-fluorophenyl)carbamoylamino]propyl]benzamide?
The InChIKey is SFAKKCIYHMPQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O2/c1-31(2)16-15-22(30-25(33)28-20-13-11-19(26)12-14-20)17-7-9-18(10-8-17)24(32)29-23-6-4-3-5-21(23)27/h3-14,22H,15-16,27H2,1-2H3,(H,29,32)(H2,28,30,33).
What are the key properties of N-(2-aminophenyl)-4-[3-(dimethylamino)-1-[(4-fluorophenyl)carbamoylamino]propyl]benzamide?
N-(2-aminophenyl)-4-[3-(dimethylamino)-1-[(4-fluorophenyl)carbamoylamino]propyl]benzamide has a molecular weight of 449.53 g/mol, XLogP of 4.47, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[3-(dimethylamino)-1-[(4-fluorophenyl)carbamoylamino]propyl]benzamide is sourced from PubChem (CID 68808140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).