N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide

C21H31FN2O2 — CID 56538526

IUPACN'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C21H31FN2O2/c1-3-14-23(15-4-2)20(25)6-5-7-21(26)24(19-12-13-19)16-17-8-10-18(22)11-9-17/h8-11,19H,3-7,12-16H2,1-2H3
InChIKeyMRODIHKMFJQMHU-UHFFFAOYSA-N
MW362.49 g/mol
LogP4.14
Rot. Bonds11

About N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide

N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide (PubChem CID 56538526) has the molecular formula C21H31FN2O2 and a molecular weight of 362.49 g/mol. Its IUPAC name is N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide.

Molecular Properties

Compound NameN'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide
PubChem CID56538526
Molecular FormulaC21H31FN2O2
Molecular Weight362.49 g/mol
Exact Mass362.24
IUPAC NameN'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C21H31FN2O2/c1-3-14-23(15-4-2)20(25)6-5-7-21(26)24(19-12-13-19)16-17-8-10-18(22)11-9-17/h8-11,19H,3-7,12-16H2,1-2H3
InChIKeyMRODIHKMFJQMHU-UHFFFAOYSA-N
XLogP4.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-N,N-dipropylbutanamide
CID 110297678
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 107909246
5-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 54874686
N'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide
CID 56539357
3-(tert-butylamino)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 60936843
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide
CID 39968065
N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide
CID 43460515
4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide
CID 54870516
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide
CID 103603514
N-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 18164911

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide?
The IUPAC name of N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide (CID 56538526) is N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide.
What is the SMILES notation for N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide?
The canonical SMILES for N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide?
The InChIKey is MRODIHKMFJQMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O2/c1-3-14-23(15-4-2)20(25)6-5-7-21(26)24(19-12-13-19)16-17-8-10-18(22)11-9-17/h8-11,19H,3-7,12-16H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide?
N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide has a molecular weight of 362.49 g/mol, XLogP of 4.14, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide is sourced from PubChem (CID 56538526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).