N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide

C21H19ClN2O2 — CID 108573158

IUPACN-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C21H19ClN2O2/c22-17-10-8-15(9-11-17)14-20(25)23-12-13-24-21(26)19-7-3-5-16-4-1-2-6-18(16)19/h1-11H,12-14H2,(H,23,25)(H,24,26)
InChIKeyNBWLZBZEBBBRDB-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.58
Rot. Bonds6

About N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide

N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide (PubChem CID 108573158) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide
PubChem CID108573158
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC NameN-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C21H19ClN2O2/c22-17-10-8-15(9-11-17)14-20(25)23-12-13-24-21(26)19-7-3-5-16-4-1-2-6-18(16)19/h1-11H,12-14H2,(H,23,25)(H,24,26)
InChIKeyNBWLZBZEBBBRDB-UHFFFAOYSA-N
XLogP3.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 14639186
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 108540845
N-(3-chloropropyl)naphthalene-1-carboxamide
CID 17164120
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108574697
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide
CID 35573590
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108561362
2-(4-chlorophenyl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 4936833
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108574115
N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide
CID 673823
2-chloro-N-(2-naphthalen-1-ylethyl)benzamide
CID 46434104
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide (CID 108573158) is N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide is O=C(Cc1ccc(Cl)cc1)NCCNC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide?
The InChIKey is NBWLZBZEBBBRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-17-10-8-15(9-11-17)14-20(25)23-12-13-24-21(26)19-7-3-5-16-4-1-2-6-18(16)19/h1-11H,12-14H2,(H,23,25)(H,24,26).
What are the key properties of N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide?
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 108573158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).