4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide

C23H21ClN2O — CID 58276377

IUPAC4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide
SMILESNC(=O)c1ccc(-c2cc(Cl)cc(CNC3Cc4ccccc4C3)c2)cc1
InChIInChI=1S/C23H21ClN2O/c24-21-10-15(14-26-22-12-18-3-1-2-4-19(18)13-22)9-20(11-21)16-5-7-17(8-6-16)23(25)27/h1-11,22,26H,12-14H2,(H2,25,27)
InChIKeyIJLKDDZKBVAKGV-UHFFFAOYSA-N
MW376.89 g/mol
LogP4.36
Rot. Bonds5

About 4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide

4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide (PubChem CID 58276377) has the molecular formula C23H21ClN2O and a molecular weight of 376.89 g/mol. Its IUPAC name is 4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide
PubChem CID58276377
Molecular FormulaC23H21ClN2O
Molecular Weight376.89 g/mol
Exact Mass376.13
IUPAC Name4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide
SMILESNC(=O)c1ccc(-c2cc(Cl)cc(CNC3Cc4ccccc4C3)c2)cc1
InChIInChI=1S/C23H21ClN2O/c24-21-10-15(14-26-22-12-18-3-1-2-4-19(18)13-22)9-20(11-21)16-5-7-17(8-6-16)23(25)27/h1-11,22,26H,12-14H2,(H2,25,27)
InChIKeyIJLKDDZKBVAKGV-UHFFFAOYSA-N
XLogP4.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide?
The IUPAC name of 4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide (CID 58276377) is 4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide.
What is the SMILES notation for 4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide?
The canonical SMILES for 4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide is NC(=O)c1ccc(-c2cc(Cl)cc(CNC3Cc4ccccc4C3)c2)cc1.
What is the InChIKey of 4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide?
The InChIKey is IJLKDDZKBVAKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O/c24-21-10-15(14-26-22-12-18-3-1-2-4-19(18)13-22)9-20(11-21)16-5-7-17(8-6-16)23(25)27/h1-11,22,26H,12-14H2,(H2,25,27).
What are the key properties of 4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide?
4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide has a molecular weight of 376.89 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide is sourced from PubChem (CID 58276377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).