N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide

C11H13BrClNO — CID 81359144

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide
SMILESC[C@@H](NC(=O)CCCl)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrClNO/c1-8(14-11(15)6-7-13)9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyGFSSCCAOCPHJMB-MRVPVSSYSA-N
MW290.59 g/mol
LogP3.26
Rot. Bonds4

About N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide

N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide (PubChem CID 81359144) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide
PubChem CID81359144
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide
SMILESC[C@@H](NC(=O)CCCl)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrClNO/c1-8(14-11(15)6-7-13)9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyGFSSCCAOCPHJMB-MRVPVSSYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[1-(4-cyanophenyl)ethyl]propanamide
CID 43698287
N-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide
CID 81359603
3-[1-(4-bromophenyl)ethylamino]-3-oxopropanoic acid
CID 62232239
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide
CID 81359837
N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119753158
3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]propanamide
CID 17326498
2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751622
tert-butyl 4-[1-(4-bromophenyl)ethylamino]-4-oxobutanoate
CID 106707193
N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81359041
4-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-methylidene-4-oxobutanoic acid
CID 166098925
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 81359750
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359098

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide (CID 81359144) is N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide is C[C@@H](NC(=O)CCCl)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide?
The InChIKey is GFSSCCAOCPHJMB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-8(14-11(15)6-7-13)9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide has a molecular weight of 290.59 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide is sourced from PubChem (CID 81359144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).