1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea

C21H18Br2N4O2 — CID 23819618

IUPAC1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea
SMILESCc1cccc(NC(=O)Nc2ccccc2Br)c1NC(=O)Nc1ccccc1Br
InChIInChI=1S/C21H18Br2N4O2/c1-13-7-6-12-18(26-20(28)24-16-10-4-2-8-14(16)22)19(13)27-21(29)25-17-11-5-3-9-15(17)23/h2-12H,1H3,(H2,24,26,28)(H2,25,27,29)
InChIKeyDZJPGHSBTGASLK-UHFFFAOYSA-N
MW518.21 g/mol
LogP6.81
Rot. Bonds4

About 1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea

1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea (PubChem CID 23819618) has the molecular formula C21H18Br2N4O2 and a molecular weight of 518.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea
PubChem CID23819618
Molecular FormulaC21H18Br2N4O2
Molecular Weight518.21 g/mol
Exact Mass515.98
IUPAC Name1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea
SMILESCc1cccc(NC(=O)Nc2ccccc2Br)c1NC(=O)Nc1ccccc1Br
InChIInChI=1S/C21H18Br2N4O2/c1-13-7-6-12-18(26-20(28)24-16-10-4-2-8-14(16)22)19(13)27-21(29)25-17-11-5-3-9-15(17)23/h2-12H,1H3,(H2,24,26,28)(H2,25,27,29)
InChIKeyDZJPGHSBTGASLK-UHFFFAOYSA-N
XLogP6.81
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.21
LogP ≤ 56.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea
CID 108868832
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
N-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512305
N-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide
CID 109036681
1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52590743
(2-bromophenyl)carbamic acid
CID 15021878
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea
CID 44721842
1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991418
(2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 891226
(2S)-2-amino-N-(2-bromophenyl)propanamide
CID 22690580
1-(2,3-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991413
1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860101

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea (CID 23819618) is 1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea is Cc1cccc(NC(=O)Nc2ccccc2Br)c1NC(=O)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea?
The InChIKey is DZJPGHSBTGASLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Br2N4O2/c1-13-7-6-12-18(26-20(28)24-16-10-4-2-8-14(16)22)19(13)27-21(29)25-17-11-5-3-9-15(17)23/h2-12H,1H3,(H2,24,26,28)(H2,25,27,29).
What are the key properties of 1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea?
1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea has a molecular weight of 518.21 g/mol, XLogP of 6.81, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea is sourced from PubChem (CID 23819618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).