benzyl-bis[[4-(phenylcarbamoylamino)phenyl]methyl]azanium chloride

C35H34ClN5O2 — CID 118062709

IUPACbenzyl-bis[[4-(phenylcarbamoylamino)phenyl]methyl]azanium chloride
SMILESO=C(Nc1ccccc1)Nc1ccc(C[NH+](Cc2ccccc2)Cc2ccc(NC(=O)Nc3ccccc3)cc2)cc1.[Cl-]
InChIInChI=1S/C35H33N5O2.ClH/c41-34(36-30-12-6-2-7-13-30)38-32-20-16-28(17-21-32)25-40(24-27-10-4-1-5-11-27)26-29-18-22-33(23-19-29)39-35(42)37-31-14-8-3-9-15-31;/h1-23H,24-26H2,(H2,36,38,41)(H2,37,39,42);1H
InChIKeyNMONQOYTEHSOOJ-UHFFFAOYSA-N
MW592.14 g/mol
LogP3.76
Rot. Bonds10

About benzyl-bis[[4-(phenylcarbamoylamino)phenyl]methyl]azanium chloride

benzyl-bis[[4-(phenylcarbamoylamino)phenyl]methyl]azanium chloride (PubChem CID 118062709) has the molecular formula C35H34ClN5O2 and a molecular weight of 592.14 g/mol. Its IUPAC name is benzyl-bis[[4-(phenylcarbamoylamino)phenyl]methyl]azanium chloride.

Molecular Properties

Compound Namebenzyl-bis[[4-(phenylcarbamoylamino)phenyl]methyl]azanium chloride
PubChem CID118062709
Molecular FormulaC35H34ClN5O2
Molecular Weight592.14 g/mol
Exact Mass591.24
IUPAC Namebenzyl-bis[[4-(phenylcarbamoylamino)phenyl]methyl]azanium chloride
SMILESO=C(Nc1ccccc1)Nc1ccc(C[NH+](Cc2ccccc2)Cc2ccc(NC(=O)Nc3ccccc3)cc2)cc1.[Cl-]
InChIInChI=1S/C35H33N5O2.ClH/c41-34(36-30-12-6-2-7-13-30)38-32-20-16-28(17-21-32)25-40(24-27-10-4-1-5-11-27)26-29-18-22-33(23-19-29)39-35(42)37-31-14-8-3-9-15-31;/h1-23H,24-26H2,(H2,36,38,41)(H2,37,39,42);1H
InChIKeyNMONQOYTEHSOOJ-UHFFFAOYSA-N
XLogP3.76
TPSA86.70 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.14
LogP ≤ 53.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

Analyze benzyl-bis[[4-(phenylcarbamoylamino)phenyl]methyl]azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
1-[4-(chloromethyl)phenyl]-3-phenylurea
CID 15895595
bis([4-(2-anilino-2-oxoethyl)phenyl]methyl-benzyl-[[4-(phenylcarbamoylamino)phenyl]methyl]azanium);benzyl-[[4-[(4-fluorophenyl)carbamoylamino]phenyl]methyl]-[[4-[2-(4-methylanilino)-2-oxoethyl]phenyl]methyl]azanium;methanesulfonate;chloride
CID 160824363
2-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 47248811
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea
CID 58506375
1-(4-benzylphenyl)-3-methylurea
CID 145326557
(2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid
CID 130323270
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
CID 112982864
(2-anilino-2-oxoethyl)-benzyl-methylazanium
CID 8901163
1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161

Frequently Asked Questions

What is the IUPAC name of benzyl-bis[[4-(phenylcarbamoylamino)phenyl]methyl]azanium chloride?
The IUPAC name of benzyl-bis[[4-(phenylcarbamoylamino)phenyl]methyl]azanium chloride (CID 118062709) is benzyl-bis[[4-(phenylcarbamoylamino)phenyl]methyl]azanium chloride.
What is the SMILES notation for benzyl-bis[[4-(phenylcarbamoylamino)phenyl]methyl]azanium chloride?
The canonical SMILES for benzyl-bis[[4-(phenylcarbamoylamino)phenyl]methyl]azanium chloride is O=C(Nc1ccccc1)Nc1ccc(C[NH+](Cc2ccccc2)Cc2ccc(NC(=O)Nc3ccccc3)cc2)cc1.[Cl-].
What is the InChIKey of benzyl-bis[[4-(phenylcarbamoylamino)phenyl]methyl]azanium chloride?
The InChIKey is NMONQOYTEHSOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N5O2.ClH/c41-34(36-30-12-6-2-7-13-30)38-32-20-16-28(17-21-32)25-40(24-27-10-4-1-5-11-27)26-29-18-22-33(23-19-29)39-35(42)37-31-14-8-3-9-15-31;/h1-23H,24-26H2,(H2,36,38,41)(H2,37,39,42);1H.
What are the key properties of benzyl-bis[[4-(phenylcarbamoylamino)phenyl]methyl]azanium chloride?
benzyl-bis[[4-(phenylcarbamoylamino)phenyl]methyl]azanium chloride has a molecular weight of 592.14 g/mol, XLogP of 3.76, 10 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-bis[[4-(phenylcarbamoylamino)phenyl]methyl]azanium chloride is sourced from PubChem (CID 118062709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).