N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide

C14H16BrClN2O2 — CID 108564071

IUPACN-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide
SMILESO=C(CCl)NC1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H16BrClN2O2/c15-11-3-1-10(2-4-11)14(20)18-7-5-12(6-8-18)17-13(19)9-16/h1-4,12H,5-9H2,(H,17,19)
InChIKeyNRRXPDCKVMJHKJ-UHFFFAOYSA-N
MW359.65 g/mol
LogP2.41
Rot. Bonds3

About N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide

N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide (PubChem CID 108564071) has the molecular formula C14H16BrClN2O2 and a molecular weight of 359.65 g/mol. Its IUPAC name is N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide
PubChem CID108564071
Molecular FormulaC14H16BrClN2O2
Molecular Weight359.65 g/mol
Exact Mass358.01
IUPAC NameN-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide
SMILESO=C(CCl)NC1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H16BrClN2O2/c15-11-3-1-10(2-4-11)14(20)18-7-5-12(6-8-18)17-13(19)9-16/h1-4,12H,5-9H2,(H,17,19)
InChIKeyNRRXPDCKVMJHKJ-UHFFFAOYSA-N
XLogP2.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550788
4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide
CID 108550518
N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556360
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551354
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556946
2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566071
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 108550026
4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide
CID 108563549
(4-bromophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466873
[4-(bromomethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80678679
N-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide
CID 51203664

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide?
The IUPAC name of N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide (CID 108564071) is N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide.
What is the SMILES notation for N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide?
The canonical SMILES for N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide is O=C(CCl)NC1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide?
The InChIKey is NRRXPDCKVMJHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2/c15-11-3-1-10(2-4-11)14(20)18-7-5-12(6-8-18)17-13(19)9-16/h1-4,12H,5-9H2,(H,17,19).
What are the key properties of N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide?
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide has a molecular weight of 359.65 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide is sourced from PubChem (CID 108564071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).