4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide

C14H19BrN2O3 — CID 107908924

IUPAC4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide
SMILESO=C(CCCCBr)Nc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C14H19BrN2O3/c15-8-2-1-3-13(19)17-12-6-4-11(5-7-12)14(20)16-9-10-18/h4-7,18H,1-3,8-10H2,(H,16,20)(H,17,19)
InChIKeyGQJOTPCIZDTDSS-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.91
Rot. Bonds8

About 4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide

4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide (PubChem CID 107908924) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide
PubChem CID107908924
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide
SMILESO=C(CCCCBr)Nc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C14H19BrN2O3/c15-8-2-1-3-13(19)17-12-6-4-11(5-7-12)14(20)16-9-10-18/h4-7,18H,1-3,8-10H2,(H,16,20)(H,17,19)
InChIKeyGQJOTPCIZDTDSS-UHFFFAOYSA-N
XLogP1.91
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
4-[(2-aminoacetyl)amino]-N-(2-hydroxyethyl)benzamide
CID 43710446
4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide
CID 62833618
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
CID 17218594
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941
4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 64683641
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
7-bromo-N-phenylheptanamide
CID 11266084

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide (CID 107908924) is 4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide is O=C(CCCCBr)Nc1ccc(C(=O)NCCO)cc1.
What is the InChIKey of 4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide?
The InChIKey is GQJOTPCIZDTDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c15-8-2-1-3-13(19)17-12-6-4-11(5-7-12)14(20)16-9-10-18/h4-7,18H,1-3,8-10H2,(H,16,20)(H,17,19).
What are the key properties of 4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide?
4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide has a molecular weight of 343.22 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 107908924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).