N-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline

C16H15ClIN — CID 43635064

IUPACN-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline
SMILESClc1cccc(C2CC(Nc3cccc(I)c3)C2)c1
InChIInChI=1S/C16H15ClIN/c17-13-4-1-3-11(7-13)12-8-16(9-12)19-15-6-2-5-14(18)10-15/h1-7,10,12,16,19H,8-9H2
InChIKeyFHGSPSUSRSOLEG-UHFFFAOYSA-N
MW383.66 g/mol
LogP5.30
Rot. Bonds3

About N-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline

N-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline (PubChem CID 43635064) has the molecular formula C16H15ClIN and a molecular weight of 383.66 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline
PubChem CID43635064
Molecular FormulaC16H15ClIN
Molecular Weight383.66 g/mol
Exact Mass382.99
IUPAC NameN-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline
SMILESClc1cccc(C2CC(Nc3cccc(I)c3)C2)c1
InChIInChI=1S/C16H15ClIN/c17-13-4-1-3-11(7-13)12-8-16(9-12)19-15-6-2-5-14(18)10-15/h1-7,10,12,16,19H,8-9H2
InChIKeyFHGSPSUSRSOLEG-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 55.30
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-[3-(4-chlorophenyl)cyclobutyl]-3-iodoaniline
CID 43635060
N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline
CID 43633459
N-[3-(4-bromophenyl)cyclobutyl]-3-iodoaniline
CID 43635062
4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol
CID 43742874
N-[3-(3-chlorophenyl)cyclobutyl]-3-nitroaniline
CID 43718066
3,5-dichloro-N-[3-(3-chlorophenyl)cyclobutyl]-4-fluoroaniline
CID 107572788
3-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-5-fluoroaniline
CID 107364256
5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43635416
4-[[3-(3-chlorophenyl)cyclobutyl]amino]benzoic acid
CID 43635176
5-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-fluorobenzonitrile
CID 63478325
2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline
CID 107597455
3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
CID 43633435

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline?
The IUPAC name of N-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline (CID 43635064) is N-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline.
What is the SMILES notation for N-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline?
The canonical SMILES for N-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline is Clc1cccc(C2CC(Nc3cccc(I)c3)C2)c1.
What is the InChIKey of N-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline?
The InChIKey is FHGSPSUSRSOLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClIN/c17-13-4-1-3-11(7-13)12-8-16(9-12)19-15-6-2-5-14(18)10-15/h1-7,10,12,16,19H,8-9H2.
What are the key properties of N-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline?
N-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline has a molecular weight of 383.66 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline is sourced from PubChem (CID 43635064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).