N-[[(1R,2R)-2-(3-fluoro-4-iodophenyl)cyclopropyl]methyl]butanamide

C14H17FINO — CID 18659987

IUPACN-[[(1R,2R)-2-(3-fluoro-4-iodophenyl)cyclopropyl]methyl]butanamide
SMILESCCCC(=O)NC[C@@H]1C[C@H]1c1ccc(I)c(F)c1
InChIInChI=1S/C14H17FINO/c1-2-3-14(18)17-8-10-6-11(10)9-4-5-13(16)12(15)7-9/h4-5,7,10-11H,2-3,6,8H2,1H3,(H,17,18)/t10-,11-/m0/s1
InChIKeyKSMUJEYCUSZZRD-QWRGUYRKSA-N
MW361.20 g/mol
LogP3.45
Rot. Bonds5

About N-[[(1R,2R)-2-(3-fluoro-4-iodophenyl)cyclopropyl]methyl]butanamide

N-[[(1R,2R)-2-(3-fluoro-4-iodophenyl)cyclopropyl]methyl]butanamide (PubChem CID 18659987) has the molecular formula C14H17FINO and a molecular weight of 361.20 g/mol. Its IUPAC name is N-[[(1R,2R)-2-(3-fluoro-4-iodophenyl)cyclopropyl]methyl]butanamide.

Molecular Properties

Compound NameN-[[(1R,2R)-2-(3-fluoro-4-iodophenyl)cyclopropyl]methyl]butanamide
PubChem CID18659987
Molecular FormulaC14H17FINO
Molecular Weight361.20 g/mol
Exact Mass361.03
IUPAC NameN-[[(1R,2R)-2-(3-fluoro-4-iodophenyl)cyclopropyl]methyl]butanamide
SMILESCCCC(=O)NC[C@@H]1C[C@H]1c1ccc(I)c(F)c1
InChIInChI=1S/C14H17FINO/c1-2-3-14(18)17-8-10-6-11(10)9-4-5-13(16)12(15)7-9/h4-5,7,10-11H,2-3,6,8H2,1H3,(H,17,18)/t10-,11-/m0/s1
InChIKeyKSMUJEYCUSZZRD-QWRGUYRKSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1R,2R)-2-(4-chloro-3-methoxyphenyl)cyclopropyl]methyl]butanamide
CID 18659979
N-[[(1R,2R)-2-[3-[2-(2-fluorophenyl)ethoxy]phenyl]cyclopropyl]methyl]butanamide
CID 70274491
1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558228
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
N-[[2-(4-chloro-3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62714592
2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene
CID 18681375
1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029742
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 65101606
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 65101607
N-[[(1R,2R)-2-(2-dodecan-3-yloxyphenyl)cyclopropyl]methyl]butanamide
CID 70274375
N-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-(3-fluoro-4-iodophenyl)cyclopropyl]methyl]butanamide?
The IUPAC name of N-[[(1R,2R)-2-(3-fluoro-4-iodophenyl)cyclopropyl]methyl]butanamide (CID 18659987) is N-[[(1R,2R)-2-(3-fluoro-4-iodophenyl)cyclopropyl]methyl]butanamide.
What is the SMILES notation for N-[[(1R,2R)-2-(3-fluoro-4-iodophenyl)cyclopropyl]methyl]butanamide?
The canonical SMILES for N-[[(1R,2R)-2-(3-fluoro-4-iodophenyl)cyclopropyl]methyl]butanamide is CCCC(=O)NC[C@@H]1C[C@H]1c1ccc(I)c(F)c1.
What is the InChIKey of N-[[(1R,2R)-2-(3-fluoro-4-iodophenyl)cyclopropyl]methyl]butanamide?
The InChIKey is KSMUJEYCUSZZRD-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H17FINO/c1-2-3-14(18)17-8-10-6-11(10)9-4-5-13(16)12(15)7-9/h4-5,7,10-11H,2-3,6,8H2,1H3,(H,17,18)/t10-,11-/m0/s1.
What are the key properties of N-[[(1R,2R)-2-(3-fluoro-4-iodophenyl)cyclopropyl]methyl]butanamide?
N-[[(1R,2R)-2-(3-fluoro-4-iodophenyl)cyclopropyl]methyl]butanamide has a molecular weight of 361.20 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-(3-fluoro-4-iodophenyl)cyclopropyl]methyl]butanamide is sourced from PubChem (CID 18659987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).