3-[butyl(cyclopropyl)amino]-1-(4-chlorophenyl)propan-1-one

C16H22ClNO — CID 62618347

IUPAC3-[butyl(cyclopropyl)amino]-1-(4-chlorophenyl)propan-1-one
SMILESCCCCN(CCC(=O)c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H22ClNO/c1-2-3-11-18(15-8-9-15)12-10-16(19)13-4-6-14(17)7-5-13/h4-7,15H,2-3,8-12H2,1H3
InChIKeyPZFRMKAESBTHBG-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.18
Rot. Bonds8

About 3-[butyl(cyclopropyl)amino]-1-(4-chlorophenyl)propan-1-one

3-[butyl(cyclopropyl)amino]-1-(4-chlorophenyl)propan-1-one (PubChem CID 62618347) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 3-[butyl(cyclopropyl)amino]-1-(4-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[butyl(cyclopropyl)amino]-1-(4-chlorophenyl)propan-1-one
PubChem CID62618347
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name3-[butyl(cyclopropyl)amino]-1-(4-chlorophenyl)propan-1-one
SMILESCCCCN(CCC(=O)c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H22ClNO/c1-2-3-11-18(15-8-9-15)12-10-16(19)13-4-6-14(17)7-5-13/h4-7,15H,2-3,8-12H2,1H3
InChIKeyPZFRMKAESBTHBG-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[butyl(cyclopropyl)amino]-1-(4-chlorophenyl)propan-1-one?
The IUPAC name of 3-[butyl(cyclopropyl)amino]-1-(4-chlorophenyl)propan-1-one (CID 62618347) is 3-[butyl(cyclopropyl)amino]-1-(4-chlorophenyl)propan-1-one.
What is the SMILES notation for 3-[butyl(cyclopropyl)amino]-1-(4-chlorophenyl)propan-1-one?
The canonical SMILES for 3-[butyl(cyclopropyl)amino]-1-(4-chlorophenyl)propan-1-one is CCCCN(CCC(=O)c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 3-[butyl(cyclopropyl)amino]-1-(4-chlorophenyl)propan-1-one?
The InChIKey is PZFRMKAESBTHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-2-3-11-18(15-8-9-15)12-10-16(19)13-4-6-14(17)7-5-13/h4-7,15H,2-3,8-12H2,1H3.
What are the key properties of 3-[butyl(cyclopropyl)amino]-1-(4-chlorophenyl)propan-1-one?
3-[butyl(cyclopropyl)amino]-1-(4-chlorophenyl)propan-1-one has a molecular weight of 279.81 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(cyclopropyl)amino]-1-(4-chlorophenyl)propan-1-one is sourced from PubChem (CID 62618347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).