N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide

C25H31ClF3N3O2 — CID 4235291

IUPACN-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide
SMILESCCCCCCCCC(=O)NCCN(C(=O)Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H31ClF3N3O2/c1-2-3-4-5-6-7-11-23(33)30-16-17-32(22-10-8-9-19(18-22)25(27,28)29)24(34)31-21-14-12-20(26)13-15-21/h8-10,12-15,18H,2-7,11,16-17H2,1H3,(H,30,33)(H,31,34)
InChIKeyNPBRCSGBYPYVAE-UHFFFAOYSA-N
MW497.99 g/mol
LogP7.26
Rot. Bonds12

About N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide

N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide (PubChem CID 4235291) has the molecular formula C25H31ClF3N3O2 and a molecular weight of 497.99 g/mol. Its IUPAC name is N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide.

Molecular Properties

Compound NameN-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide
PubChem CID4235291
Molecular FormulaC25H31ClF3N3O2
Molecular Weight497.99 g/mol
Exact Mass497.21
IUPAC NameN-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide
SMILESCCCCCCCCC(=O)NCCN(C(=O)Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H31ClF3N3O2/c1-2-3-4-5-6-7-11-23(33)30-16-17-32(22-10-8-9-19(18-22)25(27,28)29)24(34)31-21-14-12-20(26)13-15-21/h8-10,12-15,18H,2-7,11,16-17H2,1H3,(H,30,33)(H,31,34)
InChIKeyNPBRCSGBYPYVAE-UHFFFAOYSA-N
XLogP7.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.99
LogP ≤ 57.26
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

N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]hexanamide
CID 4656137
N-[2-[N-[(4-nitrophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]dodecanamide
CID 5199452
2-chloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]acetamide
CID 3891258
3-bromo-N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]benzamide
CID 42700426
3-(4-chlorophenyl)-1-[3-[(4-methoxyphenyl)carbamoylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 42702313
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide
CID 42705463
N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]-3-(trifluoromethyl)benzamide
CID 42700455
4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 42702821
6-amino-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]hexanamide
CID 3946929
N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide
CID 42700449
4-chloro-N-[3-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]benzamide
CID 42701967
2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 5000585

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide?
The IUPAC name of N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide (CID 4235291) is N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide.
What is the SMILES notation for N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide?
The canonical SMILES for N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide is CCCCCCCCC(=O)NCCN(C(=O)Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide?
The InChIKey is NPBRCSGBYPYVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClF3N3O2/c1-2-3-4-5-6-7-11-23(33)30-16-17-32(22-10-8-9-19(18-22)25(27,28)29)24(34)31-21-14-12-20(26)13-15-21/h8-10,12-15,18H,2-7,11,16-17H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide?
N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide has a molecular weight of 497.99 g/mol, XLogP of 7.26, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide is sourced from PubChem (CID 4235291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).