2-(4-chlorophenyl)ethyl N-(naphthalene-1-carbonylamino)carbamate

C20H17ClN2O3 — CID 6733479

IUPAC2-(4-chlorophenyl)ethyl N-(naphthalene-1-carbonylamino)carbamate
SMILESO=C(NNC(=O)c1cccc2ccccc12)OCCc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O3/c21-16-10-8-14(9-11-16)12-13-26-20(25)23-22-19(24)18-7-3-5-15-4-1-2-6-17(15)18/h1-11H,12-13H2,(H,22,24)(H,23,25)
InChIKeyHZZKLWZKDRGWOE-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.11
Rot. Bonds4

About 2-(4-chlorophenyl)ethyl N-(naphthalene-1-carbonylamino)carbamate

2-(4-chlorophenyl)ethyl N-(naphthalene-1-carbonylamino)carbamate (PubChem CID 6733479) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)ethyl N-(naphthalene-1-carbonylamino)carbamate.

Molecular Properties

Compound Name2-(4-chlorophenyl)ethyl N-(naphthalene-1-carbonylamino)carbamate
PubChem CID6733479
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name2-(4-chlorophenyl)ethyl N-(naphthalene-1-carbonylamino)carbamate
SMILESO=C(NNC(=O)c1cccc2ccccc12)OCCc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O3/c21-16-10-8-14(9-11-16)12-13-26-20(25)23-22-19(24)18-7-3-5-15-4-1-2-6-17(15)18/h1-11H,12-13H2,(H,22,24)(H,23,25)
InChIKeyHZZKLWZKDRGWOE-UHFFFAOYSA-N
XLogP4.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide
CID 108573158
ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate
CID 22093441
ethyl 5-(4-chlorophenyl)-3-naphthalen-1-ylpent-2-enoate
CID 90754116
N-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide
CID 155427764
2-(4-chlorophenyl)ethyl carbamate
CID 90103604
N-(6-chloro-2-pyridinyl)naphthalene-1-carboxamide
CID 115683288
N'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 19148702
(4-chlorophenyl)methyl 2-naphthalen-1-ylacetate
CID 165364396
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
2-[[1-[3-(4-chlorophenyl)propoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 24769440
2-(4-chlorophenyl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 4936833
N'-(4-phenylbenzoyl)naphthalene-1-carbohydrazide
CID 3127351

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)ethyl N-(naphthalene-1-carbonylamino)carbamate?
The IUPAC name of 2-(4-chlorophenyl)ethyl N-(naphthalene-1-carbonylamino)carbamate (CID 6733479) is 2-(4-chlorophenyl)ethyl N-(naphthalene-1-carbonylamino)carbamate.
What is the SMILES notation for 2-(4-chlorophenyl)ethyl N-(naphthalene-1-carbonylamino)carbamate?
The canonical SMILES for 2-(4-chlorophenyl)ethyl N-(naphthalene-1-carbonylamino)carbamate is O=C(NNC(=O)c1cccc2ccccc12)OCCc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)ethyl N-(naphthalene-1-carbonylamino)carbamate?
The InChIKey is HZZKLWZKDRGWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c21-16-10-8-14(9-11-16)12-13-26-20(25)23-22-19(24)18-7-3-5-15-4-1-2-6-17(15)18/h1-11H,12-13H2,(H,22,24)(H,23,25).
What are the key properties of 2-(4-chlorophenyl)ethyl N-(naphthalene-1-carbonylamino)carbamate?
2-(4-chlorophenyl)ethyl N-(naphthalene-1-carbonylamino)carbamate has a molecular weight of 368.82 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)ethyl N-(naphthalene-1-carbonylamino)carbamate is sourced from PubChem (CID 6733479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).