N'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide

C19H20FN3O3 — CID 86817394

IUPACN'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide
SMILESNC(=O)CCCCC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C19H20FN3O3/c20-14-6-4-8-16(12-14)23-19(26)13-5-3-7-15(11-13)22-18(25)10-2-1-9-17(21)24/h3-8,11-12H,1-2,9-10H2,(H2,21,24)(H,22,25)(H,23,26)
InChIKeySLKGQPMJXXKTKJ-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.06
Rot. Bonds8

About N'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide

N'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide (PubChem CID 86817394) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is N'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide.

Molecular Properties

Compound NameN'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide
PubChem CID86817394
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC NameN'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide
SMILESNC(=O)CCCCC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C19H20FN3O3/c20-14-6-4-8-16(12-14)23-19(26)13-5-3-7-15(11-13)22-18(25)10-2-1-9-17(21)24/h3-8,11-12H,1-2,9-10H2,(H2,21,24)(H,22,25)(H,23,26)
InChIKeySLKGQPMJXXKTKJ-UHFFFAOYSA-N
XLogP3.06
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid
CID 26158966
N,N'-bis[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]hexanediamide
CID 43878146
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
N-(3-fluorophenyl)-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzamide
CID 47063443
N-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide
CID 170860390
4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid
CID 26158821
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 119740426
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
3-(heptanoylamino)benzamide
CID 54789184
3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
CID 8744972
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 55888092
3-[[3-(3-fluoroanilino)-3-oxopropyl]disulfanyl]-N-(3-fluorophenyl)propanamide
CID 44817242

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide?
The IUPAC name of N'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide (CID 86817394) is N'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide.
What is the SMILES notation for N'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide?
The canonical SMILES for N'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide is NC(=O)CCCCC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide?
The InChIKey is SLKGQPMJXXKTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-14-6-4-8-16(12-14)23-19(26)13-5-3-7-15(11-13)22-18(25)10-2-1-9-17(21)24/h3-8,11-12H,1-2,9-10H2,(H2,21,24)(H,22,25)(H,23,26).
What are the key properties of N'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide?
N'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide has a molecular weight of 357.39 g/mol, XLogP of 3.06, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide is sourced from PubChem (CID 86817394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).