N-[N'-[5-(diethylamino)pentan-2-yl]carbamimidoyl]-3-fluoro-2-(2-naphthalen-1-ylethyl)benzamide

C29H37FN4O — CID 10050686

IUPACN-[N'-[5-(diethylamino)pentan-2-yl]carbamimidoyl]-3-fluoro-2-(2-naphthalen-1-ylethyl)benzamide
SMILESCCN(CC)CCCC(C)/N=C(\N)NC(=O)c1cccc(F)c1CCc1cccc2ccccc12
InChIInChI=1S/C29H37FN4O/c1-4-34(5-2)20-10-11-21(3)32-29(31)33-28(35)26-16-9-17-27(30)25(26)19-18-23-14-8-13-22-12-6-7-15-24(22)23/h6-9,12-17,21H,4-5,10-11,18-20H2,1-3H3,(H3,31,32,33,35)
InChIKeyPTDGJWDFBQJPES-UHFFFAOYSA-N
MW476.64 g/mol
LogP5.32
Rot. Bonds11

About N-[N'-[5-(diethylamino)pentan-2-yl]carbamimidoyl]-3-fluoro-2-(2-naphthalen-1-ylethyl)benzamide

N-[N'-[5-(diethylamino)pentan-2-yl]carbamimidoyl]-3-fluoro-2-(2-naphthalen-1-ylethyl)benzamide (PubChem CID 10050686) has the molecular formula C29H37FN4O and a molecular weight of 476.64 g/mol. Its IUPAC name is N-[N'-[5-(diethylamino)pentan-2-yl]carbamimidoyl]-3-fluoro-2-(2-naphthalen-1-ylethyl)benzamide.

Molecular Properties

Compound NameN-[N'-[5-(diethylamino)pentan-2-yl]carbamimidoyl]-3-fluoro-2-(2-naphthalen-1-ylethyl)benzamide
PubChem CID10050686
Molecular FormulaC29H37FN4O
Molecular Weight476.64 g/mol
Exact Mass476.30
IUPAC NameN-[N'-[5-(diethylamino)pentan-2-yl]carbamimidoyl]-3-fluoro-2-(2-naphthalen-1-ylethyl)benzamide
SMILESCCN(CC)CCCC(C)/N=C(\N)NC(=O)c1cccc(F)c1CCc1cccc2ccccc12
InChIInChI=1S/C29H37FN4O/c1-4-34(5-2)20-10-11-21(3)32-29(31)33-28(35)26-16-9-17-27(30)25(26)19-18-23-14-8-13-22-12-6-7-15-24(22)23/h6-9,12-17,21H,4-5,10-11,18-20H2,1-3H3,(H3,31,32,33,35)
InChIKeyPTDGJWDFBQJPES-UHFFFAOYSA-N
XLogP5.32
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.64
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[N'-[5-(diethylamino)pentan-2-yl]carbamimidoyl]-3-fluoro-2-(2-naphthalen-1-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[N'-[5-(diethylamino)pentan-2-yl]carbamimidoyl]-3-fluoro-2-(2-naphthalen-1-ylethyl)benzamide?
The IUPAC name of N-[N'-[5-(diethylamino)pentan-2-yl]carbamimidoyl]-3-fluoro-2-(2-naphthalen-1-ylethyl)benzamide (CID 10050686) is N-[N'-[5-(diethylamino)pentan-2-yl]carbamimidoyl]-3-fluoro-2-(2-naphthalen-1-ylethyl)benzamide.
What is the SMILES notation for N-[N'-[5-(diethylamino)pentan-2-yl]carbamimidoyl]-3-fluoro-2-(2-naphthalen-1-ylethyl)benzamide?
The canonical SMILES for N-[N'-[5-(diethylamino)pentan-2-yl]carbamimidoyl]-3-fluoro-2-(2-naphthalen-1-ylethyl)benzamide is CCN(CC)CCCC(C)/N=C(\N)NC(=O)c1cccc(F)c1CCc1cccc2ccccc12.
What is the InChIKey of N-[N'-[5-(diethylamino)pentan-2-yl]carbamimidoyl]-3-fluoro-2-(2-naphthalen-1-ylethyl)benzamide?
The InChIKey is PTDGJWDFBQJPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN4O/c1-4-34(5-2)20-10-11-21(3)32-29(31)33-28(35)26-16-9-17-27(30)25(26)19-18-23-14-8-13-22-12-6-7-15-24(22)23/h6-9,12-17,21H,4-5,10-11,18-20H2,1-3H3,(H3,31,32,33,35).
What are the key properties of N-[N'-[5-(diethylamino)pentan-2-yl]carbamimidoyl]-3-fluoro-2-(2-naphthalen-1-ylethyl)benzamide?
N-[N'-[5-(diethylamino)pentan-2-yl]carbamimidoyl]-3-fluoro-2-(2-naphthalen-1-ylethyl)benzamide has a molecular weight of 476.64 g/mol, XLogP of 5.32, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[5-(diethylamino)pentan-2-yl]carbamimidoyl]-3-fluoro-2-(2-naphthalen-1-ylethyl)benzamide is sourced from PubChem (CID 10050686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).