N-[2-[(3-bromobenzoyl)amino]ethyl]naphthalene-1-carboxamide

C20H17BrN2O2 — CID 108539666

IUPACN-[2-[(3-bromobenzoyl)amino]ethyl]naphthalene-1-carboxamide
SMILESO=C(NCCNC(=O)c1cccc2ccccc12)c1cccc(Br)c1
InChIInChI=1S/C20H17BrN2O2/c21-16-8-3-7-15(13-16)19(24)22-11-12-23-20(25)18-10-4-6-14-5-1-2-9-17(14)18/h1-10,13H,11-12H2,(H,22,24)(H,23,25)
InChIKeyLQRLBAREXRFGSS-UHFFFAOYSA-N
MW397.27 g/mol
LogP3.76
Rot. Bonds5

About N-[2-[(3-bromobenzoyl)amino]ethyl]naphthalene-1-carboxamide

N-[2-[(3-bromobenzoyl)amino]ethyl]naphthalene-1-carboxamide (PubChem CID 108539666) has the molecular formula C20H17BrN2O2 and a molecular weight of 397.27 g/mol. Its IUPAC name is N-[2-[(3-bromobenzoyl)amino]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-bromobenzoyl)amino]ethyl]naphthalene-1-carboxamide
PubChem CID108539666
Molecular FormulaC20H17BrN2O2
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC NameN-[2-[(3-bromobenzoyl)amino]ethyl]naphthalene-1-carboxamide
SMILESO=C(NCCNC(=O)c1cccc2ccccc12)c1cccc(Br)c1
InChIInChI=1S/C20H17BrN2O2/c21-16-8-3-7-15(13-16)19(24)22-11-12-23-20(25)18-10-4-6-14-5-1-2-9-17(14)18/h1-10,13H,11-12H2,(H,22,24)(H,23,25)
InChIKeyLQRLBAREXRFGSS-UHFFFAOYSA-N
XLogP3.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 53.76
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-[2-[(3-bromobenzoyl)amino]ethylcarbamoyl]benzoic acid
CID 113083357
N-[2-[(3-bromobenzoyl)amino]ethyl]-2-methylbenzamide
CID 108539696
3-bromo-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174691
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 35350648
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
3-bromo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537613
3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide
CID 51104006
3-bromo-N-[2-(4-oxopentanoylamino)ethyl]benzamide
CID 108539699
N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide
CID 108571471
3-bromo-N-(5-hydroxypentyl)benzamide
CID 107317897
3-bromo-N-dodecylbenzamide
CID 603918
N-dodecylnaphthalene-1-carboxamide
CID 4278758

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromobenzoyl)amino]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[(3-bromobenzoyl)amino]ethyl]naphthalene-1-carboxamide (CID 108539666) is N-[2-[(3-bromobenzoyl)amino]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[(3-bromobenzoyl)amino]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[(3-bromobenzoyl)amino]ethyl]naphthalene-1-carboxamide is O=C(NCCNC(=O)c1cccc2ccccc12)c1cccc(Br)c1.
What is the InChIKey of N-[2-[(3-bromobenzoyl)amino]ethyl]naphthalene-1-carboxamide?
The InChIKey is LQRLBAREXRFGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O2/c21-16-8-3-7-15(13-16)19(24)22-11-12-23-20(25)18-10-4-6-14-5-1-2-9-17(14)18/h1-10,13H,11-12H2,(H,22,24)(H,23,25).
What are the key properties of N-[2-[(3-bromobenzoyl)amino]ethyl]naphthalene-1-carboxamide?
N-[2-[(3-bromobenzoyl)amino]ethyl]naphthalene-1-carboxamide has a molecular weight of 397.27 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromobenzoyl)amino]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 108539666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).