3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide

C13H15ClFNO — CID 110480778

IUPAC3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
SMILESO=C(CCCl)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H15ClFNO/c14-8-5-12(17)16-9-13(6-7-13)10-1-3-11(15)4-2-10/h1-4H,5-9H2,(H,16,17)
InChIKeyQJXCPFBPRRJXQS-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.60
Rot. Bonds5

About 3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide

3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide (PubChem CID 110480778) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
PubChem CID110480778
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
SMILESO=C(CCCl)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H15ClFNO/c14-8-5-12(17)16-9-13(6-7-13)10-1-3-11(15)4-2-10/h1-4H,5-9H2,(H,16,17)
InChIKeyQJXCPFBPRRJXQS-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119731211
2-(dimethylamino)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide
CID 110479728
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
CID 119731231
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561735
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide
CID 86994816
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide
CID 56500429
3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 113090680
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide
CID 113214294
4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide
CID 120561270

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide (CID 110480778) is 3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide is O=C(CCCl)NCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide?
The InChIKey is QJXCPFBPRRJXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c14-8-5-12(17)16-9-13(6-7-13)10-1-3-11(15)4-2-10/h1-4H,5-9H2,(H,16,17).
What are the key properties of 3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide?
3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide has a molecular weight of 255.72 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 110480778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).