1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[4-(tetrazol-1-yl)phenyl]urea

C16H14Cl2N6O — CID 55695253

IUPAC1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[4-(tetrazol-1-yl)phenyl]urea
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H14Cl2N6O/c1-23(9-11-3-2-4-14(17)15(11)18)16(25)20-12-5-7-13(8-6-12)24-10-19-21-22-24/h2-8,10H,9H2,1H3,(H,20,25)
InChIKeyNXQLHCPHKCVLMV-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.63
Rot. Bonds4

About 1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[4-(tetrazol-1-yl)phenyl]urea

1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[4-(tetrazol-1-yl)phenyl]urea (PubChem CID 55695253) has the molecular formula C16H14Cl2N6O and a molecular weight of 377.24 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[4-(tetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[4-(tetrazol-1-yl)phenyl]urea
PubChem CID55695253
Molecular FormulaC16H14Cl2N6O
Molecular Weight377.24 g/mol
Exact Mass376.06
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[4-(tetrazol-1-yl)phenyl]urea
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H14Cl2N6O/c1-23(9-11-3-2-4-14(17)15(11)18)16(25)20-12-5-7-13(8-6-12)24-10-19-21-22-24/h2-8,10H,9H2,1H3,(H,20,25)
InChIKeyNXQLHCPHKCVLMV-UHFFFAOYSA-N
XLogP3.63
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 29415782
methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate
CID 55819799
2-(2-chlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 8006243
2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729277
1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea
CID 55696349
2-(2-chloro-6-fluorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2534187
4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 38047200
N-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide
CID 78768535
N-(2,3-dichlorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 1135809
3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 43167870
2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 62854275
(2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 79022947

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[4-(tetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[4-(tetrazol-1-yl)phenyl]urea (CID 55695253) is 1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[4-(tetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[4-(tetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[4-(tetrazol-1-yl)phenyl]urea is CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[4-(tetrazol-1-yl)phenyl]urea?
The InChIKey is NXQLHCPHKCVLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N6O/c1-23(9-11-3-2-4-14(17)15(11)18)16(25)20-12-5-7-13(8-6-12)24-10-19-21-22-24/h2-8,10H,9H2,1H3,(H,20,25).
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[4-(tetrazol-1-yl)phenyl]urea?
1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[4-(tetrazol-1-yl)phenyl]urea has a molecular weight of 377.24 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[4-(tetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 55695253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).