2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide

C16H19Cl2FN2O2 — CID 60552301

IUPAC2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide
SMILESO=C(CCNC(=O)c1cc(F)c(Cl)cc1Cl)NC1CCCCC1
InChIInChI=1S/C16H19Cl2FN2O2/c17-12-9-13(18)14(19)8-11(12)16(23)20-7-6-15(22)21-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,20,23)(H,21,22)
InChIKeyGLOICHPTHTUNJZ-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.70
Rot. Bonds5

About 2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide

2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide (PubChem CID 60552301) has the molecular formula C16H19Cl2FN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide
PubChem CID60552301
Molecular FormulaC16H19Cl2FN2O2
Molecular Weight361.24 g/mol
Exact Mass360.08
IUPAC Name2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide
SMILESO=C(CCNC(=O)c1cc(F)c(Cl)cc1Cl)NC1CCCCC1
InChIInChI=1S/C16H19Cl2FN2O2/c17-12-9-13(18)14(19)8-11(12)16(23)20-7-6-15(22)21-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,20,23)(H,21,22)
InChIKeyGLOICHPTHTUNJZ-UHFFFAOYSA-N
XLogP3.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 42780061
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
CID 47342565
N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
CID 9082220
N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 17487252
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide
CID 79386437
N-cyclohexyl-3-(3,5-dichloroanilino)propanamide
CID 109014092
5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide
CID 81486156
N-cycloheptyl-3-(3,4-dichloroanilino)propanamide
CID 109031534
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 8651306
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide (CID 60552301) is 2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide is O=C(CCNC(=O)c1cc(F)c(Cl)cc1Cl)NC1CCCCC1.
What is the InChIKey of 2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide?
The InChIKey is GLOICHPTHTUNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2FN2O2/c17-12-9-13(18)14(19)8-11(12)16(23)20-7-6-15(22)21-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,20,23)(H,21,22).
What are the key properties of 2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide?
2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide has a molecular weight of 361.24 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide is sourced from PubChem (CID 60552301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).