3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline

C16H14Cl2FN — CID 43772410

IUPAC3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline
SMILESFc1ccc(NC(c2ccc(Cl)cc2)C2CC2)cc1Cl
InChIInChI=1S/C16H14Cl2FN/c17-12-5-3-11(4-6-12)16(10-1-2-10)20-13-7-8-15(19)14(18)9-13/h3-10,16,20H,1-2H2
InChIKeyJNNYLUDZCKTTLM-UHFFFAOYSA-N
MW310.20 g/mol
LogP5.70
Rot. Bonds4

About 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline

3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline (PubChem CID 43772410) has the molecular formula C16H14Cl2FN and a molecular weight of 310.20 g/mol. Its IUPAC name is 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline
PubChem CID43772410
Molecular FormulaC16H14Cl2FN
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC Name3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline
SMILESFc1ccc(NC(c2ccc(Cl)cc2)C2CC2)cc1Cl
InChIInChI=1S/C16H14Cl2FN/c17-12-5-3-11(4-6-12)16(10-1-2-10)20-13-7-8-15(19)14(18)9-13/h3-10,16,20H,1-2H2
InChIKeyJNNYLUDZCKTTLM-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.20
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline
CID 43757413
3-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylaniline
CID 43757451
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]-4-fluoroaniline
CID 107572890
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline
CID 43764005
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline
CID 43773132
5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline
CID 43777577
5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile
CID 62317514
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422408
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-difluoro-4-methylaniline
CID 103584657
3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide
CID 43767608
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 43760606
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline
CID 43764120

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline?
The IUPAC name of 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline (CID 43772410) is 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline.
What is the SMILES notation for 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline?
The canonical SMILES for 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline is Fc1ccc(NC(c2ccc(Cl)cc2)C2CC2)cc1Cl.
What is the InChIKey of 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline?
The InChIKey is JNNYLUDZCKTTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN/c17-12-5-3-11(4-6-12)16(10-1-2-10)20-13-7-8-15(19)14(18)9-13/h3-10,16,20H,1-2H2.
What are the key properties of 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline?
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline has a molecular weight of 310.20 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline is sourced from PubChem (CID 43772410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).