N-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide

C18H18FN3O3 — CID 43056658

IUPACN-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1cc(NC2CCCc3ccccc32)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C18H18FN3O3/c1-11(23)20-17-10-16(14(19)9-18(17)22(24)25)21-15-8-4-6-12-5-2-3-7-13(12)15/h2-3,5,7,9-10,15,21H,4,6,8H2,1H3,(H,20,23)
InChIKeyCXIWBXFEMUMOQV-UHFFFAOYSA-N
MW343.36 g/mol
LogP4.18
Rot. Bonds4

About N-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide

N-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide (PubChem CID 43056658) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide
PubChem CID43056658
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC NameN-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1cc(NC2CCCc3ccccc32)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C18H18FN3O3/c1-11(23)20-17-10-16(14(19)9-18(17)22(24)25)21-15-8-4-6-12-5-2-3-7-13(12)15/h2-3,5,7,9-10,15,21H,4,6,8H2,1H3,(H,20,23)
InChIKeyCXIWBXFEMUMOQV-UHFFFAOYSA-N
XLogP4.18
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzamide
CID 7810315
N-(5-fluoro-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62376615
(1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 7410620
N-(2-methyl-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43719937
1-[3-nitro-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]piperidine-2,6-dione
CID 3339995
4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitro-N-propan-2-ylbenzamide
CID 51301434
N-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43742304
4-nitro-1-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 62506812
N-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide
CID 43672603
N-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide
CID 51301435
N-[2-(dimethylamino)ethyl]-3-nitro-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzenesulfonamide
CID 9282816
1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 24819108

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide?
The IUPAC name of N-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide (CID 43056658) is N-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide is CC(=O)Nc1cc(NC2CCCc3ccccc32)c(F)cc1[N+](=O)[O-].
What is the InChIKey of N-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide?
The InChIKey is CXIWBXFEMUMOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-11(23)20-17-10-16(14(19)9-18(17)22(24)25)21-15-8-4-6-12-5-2-3-7-13(12)15/h2-3,5,7,9-10,15,21H,4,6,8H2,1H3,(H,20,23).
What are the key properties of N-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide?
N-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide has a molecular weight of 343.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide is sourced from PubChem (CID 43056658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).