3-(benzylamino)-2-phenylbenzamide;dihydrochloride

C20H20Cl2N2O — CID 174723239

IUPAC3-(benzylamino)-2-phenylbenzamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1cccc(NCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H18N2O.2ClH/c21-20(23)17-12-7-13-18(19(17)16-10-5-2-6-11-16)22-14-15-8-3-1-4-9-15;;/h1-13,22H,14H2,(H2,21,23);2*1H
InChIKeyRGABPNKFTWDTBT-UHFFFAOYSA-N
MW375.30 g/mol
LogP4.91
Rot. Bonds5

About 3-(benzylamino)-2-phenylbenzamide;dihydrochloride

3-(benzylamino)-2-phenylbenzamide;dihydrochloride (PubChem CID 174723239) has the molecular formula C20H20Cl2N2O and a molecular weight of 375.30 g/mol. Its IUPAC name is 3-(benzylamino)-2-phenylbenzamide;dihydrochloride.

Molecular Properties

Compound Name3-(benzylamino)-2-phenylbenzamide;dihydrochloride
PubChem CID174723239
Molecular FormulaC20H20Cl2N2O
Molecular Weight375.30 g/mol
Exact Mass374.10
IUPAC Name3-(benzylamino)-2-phenylbenzamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1cccc(NCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H18N2O.2ClH/c21-20(23)17-12-7-13-18(19(17)16-10-5-2-6-11-16)22-14-15-8-3-1-4-9-15;;/h1-13,22H,14H2,(H2,21,23);2*1H
InChIKeyRGABPNKFTWDTBT-UHFFFAOYSA-N
XLogP4.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide
CID 171062567
3-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzamide;ethane
CID 142180304
N-(3-carbamoyl-2-phenylphenyl)thiophene-2-carboxamide
CID 174504895
ethyl 3-(benzylamino)-2-methylbenzoate
CID 5127212
2-(benzylamino)benzenecarboximidamide
CID 82253277
2-amino-3-(pyridin-4-ylmethylamino)benzamide
CID 115544647
2-[(benzylamino)methyl]benzamide
CID 22341819
2-(3-phenylanilino)benzamide
CID 44596232
1,4,5,8-tetrakis(benzylamino)anthracene-9,10-dione
CID 154150456
4-[(2-carbamimidoylanilino)methyl]benzoic acid;hydrochloride
CID 82253623
2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid
CID 81313237
2,3-diphenylbenzamide;phosphoric acid
CID 68745056

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-2-phenylbenzamide;dihydrochloride?
The IUPAC name of 3-(benzylamino)-2-phenylbenzamide;dihydrochloride (CID 174723239) is 3-(benzylamino)-2-phenylbenzamide;dihydrochloride.
What is the SMILES notation for 3-(benzylamino)-2-phenylbenzamide;dihydrochloride?
The canonical SMILES for 3-(benzylamino)-2-phenylbenzamide;dihydrochloride is Cl.Cl.NC(=O)c1cccc(NCc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 3-(benzylamino)-2-phenylbenzamide;dihydrochloride?
The InChIKey is RGABPNKFTWDTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O.2ClH/c21-20(23)17-12-7-13-18(19(17)16-10-5-2-6-11-16)22-14-15-8-3-1-4-9-15;;/h1-13,22H,14H2,(H2,21,23);2*1H.
What are the key properties of 3-(benzylamino)-2-phenylbenzamide;dihydrochloride?
3-(benzylamino)-2-phenylbenzamide;dihydrochloride has a molecular weight of 375.30 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-2-phenylbenzamide;dihydrochloride is sourced from PubChem (CID 174723239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).