1-(3-chlorophenyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]urea

C20H18ClN3O3 — CID 8757601

IUPAC1-(3-chlorophenyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]urea
SMILESC[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O3/c1-13(27-18-10-9-14-5-2-3-6-15(14)11-18)19(25)23-24-20(26)22-17-8-4-7-16(21)12-17/h2-13H,1H3,(H,23,25)(H2,22,24,26)/t13-/m1/s1
InChIKeyKULNDPZJOQBMAB-CYBMUJFWSA-N
MW383.84 g/mol
LogP4.11
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]urea

1-(3-chlorophenyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]urea (PubChem CID 8757601) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]urea
PubChem CID8757601
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name1-(3-chlorophenyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]urea
SMILESC[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O3/c1-13(27-18-10-9-14-5-2-3-6-15(14)11-18)19(25)23-24-20(26)22-17-8-4-7-16(21)12-17/h2-13H,1H3,(H,23,25)(H2,22,24,26)/t13-/m1/s1
InChIKeyKULNDPZJOQBMAB-CYBMUJFWSA-N
XLogP4.11
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(3-acetamidophenyl)-2-naphthalen-2-yloxypropanamide
CID 42561585
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea
CID 26871400
(2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8757659
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003659
N'-[2-(4-chlorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 4940235
(2R)-N-methyl-2-naphthalen-2-yloxypropanamide
CID 42561231
5-chloro-2-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003624

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]urea (CID 8757601) is 1-(3-chlorophenyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]urea is C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]urea?
The InChIKey is KULNDPZJOQBMAB-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-13(27-18-10-9-14-5-2-3-6-15(14)11-18)19(25)23-24-20(26)22-17-8-4-7-16(21)12-17/h2-13H,1H3,(H,23,25)(H2,22,24,26)/t13-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]urea?
1-(3-chlorophenyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]urea has a molecular weight of 383.84 g/mol, XLogP of 4.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]urea is sourced from PubChem (CID 8757601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).