1-(3,4-dichlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea

C16H15Cl2N7O — CID 78896471

IUPAC1-(3,4-dichlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea
SMILESO=C(NCCNc1nnnn1-c1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2N7O/c17-13-7-6-11(10-14(13)18)21-16(26)20-9-8-19-15-22-23-24-25(15)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,19,22,24)(H2,20,21,26)
InChIKeyYXXIITDYUVBNLV-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.20
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea

1-(3,4-dichlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea (PubChem CID 78896471) has the molecular formula C16H15Cl2N7O and a molecular weight of 392.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea
PubChem CID78896471
Molecular FormulaC16H15Cl2N7O
Molecular Weight392.25 g/mol
Exact Mass391.07
IUPAC Name1-(3,4-dichlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea
SMILESO=C(NCCNc1nnnn1-c1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2N7O/c17-13-7-6-11(10-14(13)18)21-16(26)20-9-8-19-15-22-23-24-25(15)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,19,22,24)(H2,20,21,26)
InChIKeyYXXIITDYUVBNLV-UHFFFAOYSA-N
XLogP3.20
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea
CID 78896470
1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
CID 3334285
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
N-(3,4-dichlorophenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide
CID 9195215
1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide
CID 78896414
trans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide
CID 95568786
9-oxo-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]fluorene-2-carboxamide
CID 86887275
methyl 3-[(1-phenyltetrazol-5-yl)amino]propanoate
CID 60631997
N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
1-(2-benzylsulfanylethyl)-3-(3,4-dichlorophenyl)urea
CID 100569621
5-[(3,4-dichlorophenyl)carbamoylamino]pentanoic acid
CID 4083960

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea (CID 78896471) is 1-(3,4-dichlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea is O=C(NCCNc1nnnn1-c1ccccc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea?
The InChIKey is YXXIITDYUVBNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N7O/c17-13-7-6-11(10-14(13)18)21-16(26)20-9-8-19-15-22-23-24-25(15)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,19,22,24)(H2,20,21,26).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea?
1-(3,4-dichlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea has a molecular weight of 392.25 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea is sourced from PubChem (CID 78896471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).