1-(4-bromophenyl)-3-propan-2-ylurea

C10H13BrN2O — CID 3403454

IUPAC1-(4-bromophenyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2O/c1-7(2)12-10(14)13-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyUOSOJZCBFAIKRB-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.98
Rot. Bonds2

About 1-(4-bromophenyl)-3-propan-2-ylurea

1-(4-bromophenyl)-3-propan-2-ylurea (PubChem CID 3403454) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-propan-2-ylurea
PubChem CID3403454
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name1-(4-bromophenyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2O/c1-7(2)12-10(14)13-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyUOSOJZCBFAIKRB-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[[(4-bromophenyl)sulfonylamino]methyl]phenyl]-3-propan-2-ylurea
CID 39666103
1-(4-bromophenyl)-3-[1-(dimethylamino)propan-2-yl]urea
CID 163286341
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686
4-(propan-2-ylcarbamoylamino)benzamide
CID 47027880
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea
CID 26008081
1-[4-(1-aminoethyl)phenyl]-3-(4-bromophenyl)urea
CID 61340372
1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea
CID 110774685
1-(4-bromo-3-iodophenyl)-3-propan-2-ylurea
CID 130158679
5-[(4-bromophenyl)carbamoylamino]hexanoic acid
CID 82846118
4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166611
1-(3,5-dimethylphenyl)-3-propan-2-ylurea
CID 4054179

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(4-bromophenyl)-3-propan-2-ylurea (CID 3403454) is 1-(4-bromophenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(4-bromophenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(4-bromophenyl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-propan-2-ylurea?
The InChIKey is UOSOJZCBFAIKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7(2)12-10(14)13-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H2,12,13,14).
What are the key properties of 1-(4-bromophenyl)-3-propan-2-ylurea?
1-(4-bromophenyl)-3-propan-2-ylurea has a molecular weight of 257.13 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-propan-2-ylurea is sourced from PubChem (CID 3403454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).