2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide

C20H25FN4O2 — CID 42747819

IUPAC2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)Nc2cccc(F)c2)ccc1N(C)C
InChIInChI=1S/C20H25FN4O2/c1-5-25(6-2)19(26)17-13-16(10-11-18(17)24(3)4)23-20(27)22-15-9-7-8-14(21)12-15/h7-13H,5-6H2,1-4H3,(H2,22,23,27)
InChIKeyLEMDJHUCVLBNMG-UHFFFAOYSA-N
MW372.44 g/mol
LogP4.02
Rot. Bonds6

About 2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide

2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide (PubChem CID 42747819) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide
PubChem CID42747819
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)Nc2cccc(F)c2)ccc1N(C)C
InChIInChI=1S/C20H25FN4O2/c1-5-25(6-2)19(26)17-13-16(10-11-18(17)24(3)4)23-20(27)22-15-9-7-8-14(21)12-15/h7-13H,5-6H2,1-4H3,(H2,22,23,27)
InChIKeyLEMDJHUCVLBNMG-UHFFFAOYSA-N
XLogP4.02
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
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

5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide
CID 42659109
N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066998
5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N,N-diethylbenzamide
CID 771591
2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide
CID 5021314
2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide
CID 3533936
N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide
CID 811745
2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide
CID 7125440
5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide
CID 811746
2-(dimethylamino)-N-propyl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42659116
1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
CID 44755798
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
1-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]-3-(3-fluorophenyl)-1-(3-methylbutan-2-yl)urea
CID 46138517

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide?
The IUPAC name of 2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide (CID 42747819) is 2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide.
What is the SMILES notation for 2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide?
The canonical SMILES for 2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide is CCN(CC)C(=O)c1cc(NC(=O)Nc2cccc(F)c2)ccc1N(C)C.
What is the InChIKey of 2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide?
The InChIKey is LEMDJHUCVLBNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-5-25(6-2)19(26)17-13-16(10-11-18(17)24(3)4)23-20(27)22-15-9-7-8-14(21)12-15/h7-13H,5-6H2,1-4H3,(H2,22,23,27).
What are the key properties of 2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide?
2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide has a molecular weight of 372.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide is sourced from PubChem (CID 42747819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).