N-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline

C16H14ClF2N — CID 43773132

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline
SMILESFc1cccc(F)c1NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H14ClF2N/c17-12-8-6-11(7-9-12)15(10-4-5-10)20-16-13(18)2-1-3-14(16)19/h1-3,6-10,15,20H,4-5H2
InChIKeyNEEHPAFFCNTCRP-UHFFFAOYSA-N
MW293.74 g/mol
LogP5.18
Rot. Bonds4

About N-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline

N-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline (PubChem CID 43773132) has the molecular formula C16H14ClF2N and a molecular weight of 293.74 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline
PubChem CID43773132
Molecular FormulaC16H14ClF2N
Molecular Weight293.74 g/mol
Exact Mass293.08
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline
SMILESFc1cccc(F)c1NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H14ClF2N/c17-12-8-6-11(7-9-12)15(10-4-5-10)20-16-13(18)2-1-3-14(16)19/h1-3,6-10,15,20H,4-5H2
InChIKeyNEEHPAFFCNTCRP-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.74
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-6-fluorobenzonitrile
CID 43222298
2-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-6-fluoroaniline
CID 107598013
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline
CID 43772410
5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline
CID 43777577
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-difluoro-4-methylaniline
CID 103584657
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline
CID 43764120
N-(1-cyclopropylethyl)-2,6-difluoroaniline
CID 43123985
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline
CID 43764005
2,6-dichloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 65467984
3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide
CID 43767608
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoro-2-methoxyaniline
CID 63453951
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline (CID 43773132) is N-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline is Fc1cccc(F)c1NC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline?
The InChIKey is NEEHPAFFCNTCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N/c17-12-8-6-11(7-9-12)15(10-4-5-10)20-16-13(18)2-1-3-14(16)19/h1-3,6-10,15,20H,4-5H2.
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline?
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline has a molecular weight of 293.74 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline is sourced from PubChem (CID 43773132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).