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

C23H20ClFN2O — CID 59316490

IUPAC2-chloro-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(CNC3Cc4ccccc4C3)c(F)c2)c1Cl
InChIInChI=1S/C23H20ClFN2O/c24-22-19(6-3-7-20(22)23(26)28)16-8-9-17(21(25)12-16)13-27-18-10-14-4-1-2-5-15(14)11-18/h1-9,12,18,27H,10-11,13H2,(H2,26,28)
InChIKeyDCXVZSVTJRLMKB-UHFFFAOYSA-N
MW394.88 g/mol
LogP4.50
Rot. Bonds5

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

2-chloro-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide (PubChem CID 59316490) has the molecular formula C23H20ClFN2O and a molecular weight of 394.88 g/mol. Its IUPAC name is 2-chloro-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide.

Molecular Properties

Compound Name2-chloro-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide
PubChem CID59316490
Molecular FormulaC23H20ClFN2O
Molecular Weight394.88 g/mol
Exact Mass394.12
IUPAC Name2-chloro-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(CNC3Cc4ccccc4C3)c(F)c2)c1Cl
InChIInChI=1S/C23H20ClFN2O/c24-22-19(6-3-7-20(22)23(26)28)16-8-9-17(21(25)12-16)13-27-18-10-14-4-1-2-5-15(14)11-18/h1-9,12,18,27H,10-11,13H2,(H2,26,28)
InChIKeyDCXVZSVTJRLMKB-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

3-chloro-4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide
CID 24945882
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride
CID 68603662
2-chloro-3-[4-[2-(4,4-dimethylcyclohexyl)ethyl]-3-fluorophenyl]benzamide
CID 58276334
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride
CID 68604408
2-[[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]amino]methyl]-5-(3-fluorophenyl)benzamide
CID 68603565
1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 53323805
4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,5-difluorophenyl]-3-methylbenzamide
CID 24945881
N-[[4-(2,3-difluorophenyl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63990447
3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 87512737
4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide
CID 58276377
5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 81300561
2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid
CID 118835610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide?
The IUPAC name of 2-chloro-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide (CID 59316490) is 2-chloro-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide.
What is the SMILES notation for 2-chloro-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide?
The canonical SMILES for 2-chloro-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide is NC(=O)c1cccc(-c2ccc(CNC3Cc4ccccc4C3)c(F)c2)c1Cl.
What is the InChIKey of 2-chloro-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide?
The InChIKey is DCXVZSVTJRLMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O/c24-22-19(6-3-7-20(22)23(26)28)16-8-9-17(21(25)12-16)13-27-18-10-14-4-1-2-5-15(14)11-18/h1-9,12,18,27H,10-11,13H2,(H2,26,28).
What are the key properties of 2-chloro-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide?
2-chloro-3-[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 2-chloro-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide is sourced from PubChem (CID 59316490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).