1-[4-[(1S)-1-amino-2-hydroxyethyl]phenyl]-3-(4-chlorophenyl)urea

C15H16ClN3O2 — CID 124565420

IUPAC1-[4-[(1S)-1-amino-2-hydroxyethyl]phenyl]-3-(4-chlorophenyl)urea
SMILESN[C@H](CO)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClN3O2/c16-11-3-7-13(8-4-11)19-15(21)18-12-5-1-10(2-6-12)14(17)9-20/h1-8,14,20H,9,17H2,(H2,18,19,21)/t14-/m1/s1
InChIKeyJYLBMKYRRBXVOT-CQSZACIVSA-N
MW305.77 g/mol
LogP2.98
Rot. Bonds4

About 1-[4-[(1S)-1-amino-2-hydroxyethyl]phenyl]-3-(4-chlorophenyl)urea

1-[4-[(1S)-1-amino-2-hydroxyethyl]phenyl]-3-(4-chlorophenyl)urea (PubChem CID 124565420) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 1-[4-[(1S)-1-amino-2-hydroxyethyl]phenyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[4-[(1S)-1-amino-2-hydroxyethyl]phenyl]-3-(4-chlorophenyl)urea
PubChem CID124565420
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name1-[4-[(1S)-1-amino-2-hydroxyethyl]phenyl]-3-(4-chlorophenyl)urea
SMILESN[C@H](CO)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClN3O2/c16-11-3-7-13(8-4-11)19-15(21)18-12-5-1-10(2-6-12)14(17)9-20/h1-8,14,20H,9,17H2,(H2,18,19,21)/t14-/m1/s1
InChIKeyJYLBMKYRRBXVOT-CQSZACIVSA-N
XLogP2.98
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(4-chlorophenyl)ethanol;hydrochloride
CID 67033243
1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea
CID 61342206
1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea
CID 61340890
(2S)-2-amino-2-[4-(4-chlorophenoxy)phenyl]ethanol
CID 66516023
1-(4-chlorophenyl)-3-[(1S)-2-hydroxy-1-iodoethyl]urea
CID 70346476
(2S)-2-amino-3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]propanoic acid
CID 130323263
1-(2-aminobutyl)-3-(4-chlorophenyl)urea
CID 63733055
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344
1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
CID 61355731
(3S)-3-amino-3-(4-chlorophenyl)propanamide
CID 29060060
1-[(4-chlorophenyl)methyl]-3-[4-[(1S)-1-methylsulfanylethyl]phenyl]urea
CID 166706416

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-amino-2-hydroxyethyl]phenyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[4-[(1S)-1-amino-2-hydroxyethyl]phenyl]-3-(4-chlorophenyl)urea (CID 124565420) is 1-[4-[(1S)-1-amino-2-hydroxyethyl]phenyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[4-[(1S)-1-amino-2-hydroxyethyl]phenyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[4-[(1S)-1-amino-2-hydroxyethyl]phenyl]-3-(4-chlorophenyl)urea is N[C@H](CO)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-[(1S)-1-amino-2-hydroxyethyl]phenyl]-3-(4-chlorophenyl)urea?
The InChIKey is JYLBMKYRRBXVOT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-11-3-7-13(8-4-11)19-15(21)18-12-5-1-10(2-6-12)14(17)9-20/h1-8,14,20H,9,17H2,(H2,18,19,21)/t14-/m1/s1.
What are the key properties of 1-[4-[(1S)-1-amino-2-hydroxyethyl]phenyl]-3-(4-chlorophenyl)urea?
1-[4-[(1S)-1-amino-2-hydroxyethyl]phenyl]-3-(4-chlorophenyl)urea has a molecular weight of 305.77 g/mol, XLogP of 2.98, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-amino-2-hydroxyethyl]phenyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 124565420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).