1-[(2R)-1-(2-bromophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-3-methoxypropyl]urea

C14H21BrN2O3 — CID 97087832

IUPAC1-[(2R)-1-(2-bromophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-3-methoxypropyl]urea
SMILESCOC[C@H](O)CNC(=O)N[C@H](C)Cc1ccccc1Br
InChIInChI=1S/C14H21BrN2O3/c1-10(7-11-5-3-4-6-13(11)15)17-14(19)16-8-12(18)9-20-2/h3-6,10,12,18H,7-9H2,1-2H3,(H2,16,17,19)/t10-,12-/m1/s1
InChIKeyDHGRRXYYJZWWLT-ZYHUDNBSSA-N
MW345.24 g/mol
LogP1.69
Rot. Bonds7

About 1-[(2R)-1-(2-bromophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-3-methoxypropyl]urea

1-[(2R)-1-(2-bromophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-3-methoxypropyl]urea (PubChem CID 97087832) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is 1-[(2R)-1-(2-bromophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-3-methoxypropyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-(2-bromophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-3-methoxypropyl]urea
PubChem CID97087832
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC Name1-[(2R)-1-(2-bromophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-3-methoxypropyl]urea
SMILESCOC[C@H](O)CNC(=O)N[C@H](C)Cc1ccccc1Br
InChIInChI=1S/C14H21BrN2O3/c1-10(7-11-5-3-4-6-13(11)15)17-14(19)16-8-12(18)9-20-2/h3-6,10,12,18H,7-9H2,1-2H3,(H2,16,17,19)/t10-,12-/m1/s1
InChIKeyDHGRRXYYJZWWLT-ZYHUDNBSSA-N
XLogP1.69
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(2R)-1-(2-bromophenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
CID 97087836
4-[1-(2-bromophenyl)propan-2-ylcarbamoylamino]butanoic acid
CID 122006510
1-(2,2-diphenylethyl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426647
N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637796
N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120637795
1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 111426760
1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81383910
4-[1-(2-bromophenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006512
N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119341127
1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea
CID 111338426
2-[acetyl(methyl)amino]-N-[(2R)-1-(2-bromophenyl)propan-2-yl]acetamide
CID 97087816
1-(3-bromo-4-chlorophenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea
CID 97054292

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(2-bromophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-3-methoxypropyl]urea?
The IUPAC name of 1-[(2R)-1-(2-bromophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-3-methoxypropyl]urea (CID 97087832) is 1-[(2R)-1-(2-bromophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-3-methoxypropyl]urea.
What is the SMILES notation for 1-[(2R)-1-(2-bromophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-3-methoxypropyl]urea?
The canonical SMILES for 1-[(2R)-1-(2-bromophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-3-methoxypropyl]urea is COC[C@H](O)CNC(=O)N[C@H](C)Cc1ccccc1Br.
What is the InChIKey of 1-[(2R)-1-(2-bromophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-3-methoxypropyl]urea?
The InChIKey is DHGRRXYYJZWWLT-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-10(7-11-5-3-4-6-13(11)15)17-14(19)16-8-12(18)9-20-2/h3-6,10,12,18H,7-9H2,1-2H3,(H2,16,17,19)/t10-,12-/m1/s1.
What are the key properties of 1-[(2R)-1-(2-bromophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-3-methoxypropyl]urea?
1-[(2R)-1-(2-bromophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-3-methoxypropyl]urea has a molecular weight of 345.24 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(2-bromophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-3-methoxypropyl]urea is sourced from PubChem (CID 97087832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).