1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea

C9H10ClIN2O2 — CID 70346476

IUPAC1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)N[C@@H](I)CO
InChIInChI=1S/C9H10ClIN2O2/c10-6-1-3-7(4-2-6)12-9(15)13-8(11)5-14/h1-4,8,14H,5H2,(H2,12,13,15)/t8-/m1/s1
InChIKeyUUBJROKIWMXZGI-MRVPVSSYSA-N
MW340.55 g/mol
LogP2.21
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea

1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea (PubChem CID 70346476) has the molecular formula C9H10ClIN2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea
PubChem CID70346476
Molecular FormulaC9H10ClIN2O2
Molecular Weight340.55 g/mol
Exact Mass339.95
IUPAC Name1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)N[C@@H](I)CO
InChIInChI=1S/C9H10ClIN2O2/c10-6-1-3-7(4-2-6)12-9(15)13-8(11)5-14/h1-4,8,14H,5H2,(H2,12,13,15)/t8-/m1/s1
InChIKeyUUBJROKIWMXZGI-MRVPVSSYSA-N
XLogP2.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(1S)-1-amino-2-hydroxyethyl]phenyl]-3-(4-chlorophenyl)urea
CID 124565420
1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]urea
CID 135238903
1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
CID 61355731
1-(4-chlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea
CID 113240168
1-(4-chlorophenyl)-3-[(2S)-4-methoxybutan-2-yl]urea
CID 124872443
1-(4-chlorophenyl)-3-[(1R,2R)-1,2-diphenyl-2-(phenylcarbamoylamino)ethyl]urea
CID 54084890
N-(4-chlorophenyl)-2-iodopropanamide
CID 102547197
1-(4-chlorophenyl)-3-[(3R)-1-[(4-chlorophenyl)carbamoylamino]pentan-3-yl]urea
CID 40625211
methyl (2R,3S)-2-[(4-chlorophenyl)carbamoylamino]-3-methylpentanoate
CID 7645627
1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 841933
methyl (2S)-2-[(4-chlorophenyl)carbamoylamino]-3-methylbutanoate
CID 946676
methyl 2-[(4-chlorophenyl)carbamoylamino]-3-methylbutanoate
CID 3992896

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea (CID 70346476) is 1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea is O=C(Nc1ccc(Cl)cc1)N[C@@H](I)CO.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea?
The InChIKey is UUBJROKIWMXZGI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10ClIN2O2/c10-6-1-3-7(4-2-6)12-9(15)13-8(11)5-14/h1-4,8,14H,5H2,(H2,12,13,15)/t8-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea?
1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea has a molecular weight of 340.55 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea is sourced from PubChem (CID 70346476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).