3-chloro-4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide

C23H20ClFN2O — CID 24945882

IUPAC3-chloro-4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(CNC3Cc4ccccc4C3)c(F)c2)c(Cl)c1
InChIInChI=1S/C23H20ClFN2O/c24-21-11-17(23(26)28)7-8-20(21)16-5-6-18(22(25)12-16)13-27-19-9-14-3-1-2-4-15(14)10-19/h1-8,11-12,19,27H,9-10,13H2,(H2,26,28)
InChIKeyDAPWSNNLUGQCIF-UHFFFAOYSA-N
MW394.88 g/mol
LogP4.50
Rot. Bonds5

About 3-chloro-4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide

3-chloro-4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide (PubChem CID 24945882) has the molecular formula C23H20ClFN2O and a molecular weight of 394.88 g/mol. Its IUPAC name is 3-chloro-4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide
PubChem CID24945882
Molecular FormulaC23H20ClFN2O
Molecular Weight394.88 g/mol
Exact Mass394.12
IUPAC Name3-chloro-4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(CNC3Cc4ccccc4C3)c(F)c2)c(Cl)c1
InChIInChI=1S/C23H20ClFN2O/c24-21-11-17(23(26)28)7-8-20(21)16-5-6-18(22(25)12-16)13-27-19-9-14-3-1-2-4-15(14)10-19/h1-8,11-12,19,27H,9-10,13H2,(H2,26,28)
InChIKeyDAPWSNNLUGQCIF-UHFFFAOYSA-N
XLogP4.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide
CID 59316490
4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,5-difluorophenyl]-3-methylbenzamide
CID 24945881
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride
CID 68604408
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride
CID 68603662
1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 53323805
4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide
CID 58276377
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide
CID 58276465
3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 87512737
3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579771
4-[(2-chloroanilino)methyl]-3-fluorobenzamide
CID 28581400
3-chloro-4-[(thian-4-ylamino)methyl]benzamide
CID 102665132
3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 63043343

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide?
The IUPAC name of 3-chloro-4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide (CID 24945882) is 3-chloro-4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide.
What is the SMILES notation for 3-chloro-4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide?
The canonical SMILES for 3-chloro-4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide is NC(=O)c1ccc(-c2ccc(CNC3Cc4ccccc4C3)c(F)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide?
The InChIKey is DAPWSNNLUGQCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O/c24-21-11-17(23(26)28)7-8-20(21)16-5-6-18(22(25)12-16)13-27-19-9-14-3-1-2-4-15(14)10-19/h1-8,11-12,19,27H,9-10,13H2,(H2,26,28).
What are the key properties of 3-chloro-4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide?
3-chloro-4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide has a molecular weight of 394.88 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide is sourced from PubChem (CID 24945882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).