[(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea

C14H14BrN3O — CID 99792892

IUPAC[(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea
SMILESNC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrN3O/c15-11-6-4-10(5-7-11)13(18-14(16)19)9-12-3-1-2-8-17-12/h1-8,13H,9H2,(H3,16,18,19)/t13-/m0/s1
InChIKeyNDTRASMHBXYMJB-ZDUSSCGKSA-N
MW320.19 g/mol
LogP2.80
Rot. Bonds4

About [(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea

[(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea (PubChem CID 99792892) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is [(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea.

Molecular Properties

Compound Name[(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea
PubChem CID99792892
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name[(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea
SMILESNC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrN3O/c15-11-6-4-10(5-7-11)13(18-14(16)19)9-12-3-1-2-8-17-12/h1-8,13H,9H2,(H3,16,18,19)/t13-/m0/s1
InChIKeyNDTRASMHBXYMJB-ZDUSSCGKSA-N
XLogP2.80
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-phenyl-2-pyridin-2-ylethyl)carbamic acid
CID 134541861
3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide
CID 134542197
2-(4-bromophenyl)-3-pyridin-2-ylpropanal
CID 174426840
1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43178958
1-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]cyclopropane-1-carboxamide
CID 134541309
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea
CID 129358685
1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol
CID 111421815
[1-(5-bromo-2-pyridinyl)-2-pyridin-2-ylethyl]hydrazine
CID 105267624
2-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-[(1S)-1-phenyl-2-pyridin-2-ylethyl]propanamide
CID 134542231
1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108899435
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
2-amino-3-pyridin-2-ylpropanamide;hydrochloride
CID 67508641

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea?
The IUPAC name of [(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea (CID 99792892) is [(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea.
What is the SMILES notation for [(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea?
The canonical SMILES for [(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea is NC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1.
What is the InChIKey of [(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea?
The InChIKey is NDTRASMHBXYMJB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-11-6-4-10(5-7-11)13(18-14(16)19)9-12-3-1-2-8-17-12/h1-8,13H,9H2,(H3,16,18,19)/t13-/m0/s1.
What are the key properties of [(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea?
[(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea has a molecular weight of 320.19 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea is sourced from PubChem (CID 99792892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).