N-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]naphthalene-1-carboxamide

C27H23ClFN3O2 — CID 42702747

IUPACN-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]naphthalene-1-carboxamide
SMILESO=C(NCCCN(C(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1)c1cccc2ccccc12
InChIInChI=1S/C27H23ClFN3O2/c28-20-8-4-9-22(18-20)31-27(34)32(23-14-12-21(29)13-15-23)17-5-16-30-26(33)25-11-3-7-19-6-1-2-10-24(19)25/h1-4,6-15,18H,5,16-17H2,(H,30,33)(H,31,34)
InChIKeyRVNCLVQOTMVCCV-UHFFFAOYSA-N
MW475.95 g/mol
LogP6.49
Rot. Bonds7

About N-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]naphthalene-1-carboxamide

N-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]naphthalene-1-carboxamide (PubChem CID 42702747) has the molecular formula C27H23ClFN3O2 and a molecular weight of 475.95 g/mol. Its IUPAC name is N-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]naphthalene-1-carboxamide
PubChem CID42702747
Molecular FormulaC27H23ClFN3O2
Molecular Weight475.95 g/mol
Exact Mass475.15
IUPAC NameN-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]naphthalene-1-carboxamide
SMILESO=C(NCCCN(C(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1)c1cccc2ccccc12
InChIInChI=1S/C27H23ClFN3O2/c28-20-8-4-9-22(18-20)31-27(34)32(23-14-12-21(29)13-15-23)17-5-16-30-26(33)25-11-3-7-19-6-1-2-10-24(19)25/h1-4,6-15,18H,5,16-17H2,(H,30,33)(H,31,34)
InChIKeyRVNCLVQOTMVCCV-UHFFFAOYSA-N
XLogP6.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.95
LogP ≤ 56.49
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-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]benzamide
CID 42702736
3-(3-chlorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
CID 42702752
3-(3-chlorophenyl)-1-[3-[(3-chlorophenyl)carbamoylamino]propyl]-1-(4-methoxyphenyl)urea
CID 3618741
N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide
CID 42705494
4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide
CID 42704534
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 42725862
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
4-chloro-N-[3-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]benzamide
CID 42701967
3-(3-chlorophenyl)-1-[3-[(4-methylsulfanylphenyl)carbamoylamino]propyl]-1-(4-phenoxyphenyl)urea
CID 42705604
N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide
CID 42704529
3-(3,4-dichlorophenyl)-1-[3-[(3-fluorophenyl)carbamoylamino]propyl]-1-phenylurea
CID 42705924
1-[3-(butylcarbamoylamino)propyl]-3-(4-chlorophenyl)-1-(4-fluorophenyl)urea
CID 42704493

Frequently Asked Questions

What is the IUPAC name of N-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]naphthalene-1-carboxamide (CID 42702747) is N-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]naphthalene-1-carboxamide is O=C(NCCCN(C(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]naphthalene-1-carboxamide?
The InChIKey is RVNCLVQOTMVCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN3O2/c28-20-8-4-9-22(18-20)31-27(34)32(23-14-12-21(29)13-15-23)17-5-16-30-26(33)25-11-3-7-19-6-1-2-10-24(19)25/h1-4,6-15,18H,5,16-17H2,(H,30,33)(H,31,34).
What are the key properties of N-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]naphthalene-1-carboxamide?
N-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]naphthalene-1-carboxamide has a molecular weight of 475.95 g/mol, XLogP of 6.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]naphthalene-1-carboxamide is sourced from PubChem (CID 42702747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).