N-[(4-bromophenyl)-(pentanoylamino)methyl]pentanamide

C17H25BrN2O2 — CID 2526890

IUPACN-[(4-bromophenyl)-(pentanoylamino)methyl]pentanamide
SMILESCCCCC(=O)NC(NC(=O)CCCC)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2O2/c1-3-5-7-15(21)19-17(20-16(22)8-6-4-2)13-9-11-14(18)12-10-13/h9-12,17H,3-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBJTYOTDWJCCHDP-UHFFFAOYSA-N
MW369.30 g/mol
LogP4.06
Rot. Bonds9

About N-[(4-bromophenyl)-(pentanoylamino)methyl]pentanamide

N-[(4-bromophenyl)-(pentanoylamino)methyl]pentanamide (PubChem CID 2526890) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(pentanoylamino)methyl]pentanamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(pentanoylamino)methyl]pentanamide
PubChem CID2526890
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC NameN-[(4-bromophenyl)-(pentanoylamino)methyl]pentanamide
SMILESCCCCC(=O)NC(NC(=O)CCCC)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2O2/c1-3-5-7-15(21)19-17(20-16(22)8-6-4-2)13-9-11-14(18)12-10-13/h9-12,17H,3-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBJTYOTDWJCCHDP-UHFFFAOYSA-N
XLogP4.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide
CID 18839396
2-(4-bromophenyl)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]acetic acid
CID 119197902
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide
CID 81359837
N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119753158
N-[(3-hexoxy-4-methoxyphenyl)-(pentanoylamino)methyl]pentanamide
CID 18890129
N-[(3-heptoxy-4-methoxyphenyl)-(pentanoylamino)methyl]pentanamide
CID 18890153
butyl N-[1-(4-bromophenyl)-2-oxohexyl]carbamate
CID 174741903
3-(4-bromophenyl)-3-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid
CID 119188757
N-[1-(4-bromoanilino)-2,2,2-trichloroethyl]heptanamide
CID 3118264
1-[1-(4-bromophenyl)ethyl]-3-butylthiourea
CID 78751867
1-[(1S)-1-(4-bromophenyl)ethyl]-3-butylthiourea
CID 8677045
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide
CID 81359144

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(pentanoylamino)methyl]pentanamide?
The IUPAC name of N-[(4-bromophenyl)-(pentanoylamino)methyl]pentanamide (CID 2526890) is N-[(4-bromophenyl)-(pentanoylamino)methyl]pentanamide.
What is the SMILES notation for N-[(4-bromophenyl)-(pentanoylamino)methyl]pentanamide?
The canonical SMILES for N-[(4-bromophenyl)-(pentanoylamino)methyl]pentanamide is CCCCC(=O)NC(NC(=O)CCCC)c1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)-(pentanoylamino)methyl]pentanamide?
The InChIKey is BJTYOTDWJCCHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c1-3-5-7-15(21)19-17(20-16(22)8-6-4-2)13-9-11-14(18)12-10-13/h9-12,17H,3-8H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[(4-bromophenyl)-(pentanoylamino)methyl]pentanamide?
N-[(4-bromophenyl)-(pentanoylamino)methyl]pentanamide has a molecular weight of 369.30 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-(pentanoylamino)methyl]pentanamide is sourced from PubChem (CID 2526890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).